Diff of the two buildlogs: -- --- b1/build.log 2021-01-15 22:43:53.469727913 +0000 +++ b2/build.log 2021-01-16 00:58:59.971576633 +0000 @@ -1,6 +1,7 @@ +W: cgroups are not available on the host, not using them. I: pbuilder: network access will be disabled during build -I: Current time: Thu Feb 17 15:58:40 -12 2022 -I: pbuilder-time-stamp: 1645156720 +I: Current time: Sat Jan 16 12:44:02 +14 2021 +I: pbuilder-time-stamp: 1610750642 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/buster-reproducible-base.tgz] I: copying local configuration @@ -17,7 +18,7 @@ I: Extracting source gpgv: unknown type of key resource 'trustedkeys.kbx' gpgv: keyblock resource '/root/.gnupg/trustedkeys.kbx': General error -gpgv: Signature made Sun Jan 6 05:23:50 2019 -12 +gpgv: Signature made Mon Jan 7 07:23:50 2019 +14 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./cp2k_6.1-2.dsc @@ -29,136 +30,169 @@ dpkg-source: info: applying testsuite_output.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3857/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/51430/tmp/hooks/D01_modify_environment starting +debug: Running on ionos1-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +Removing 'diversion of /bin/sh to /bin/sh.distrib by dash' +Adding 'diversion of /bin/sh to /bin/sh.distrib by bash' +Removing 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by dash' +Adding 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by bash' +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/51430/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/51430/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=16' - DISTRIBUTION='' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="0" [2]="3" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.0.3(1)-release' + BUILDDIR=/build + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=15' + DIRSTACK=() + DISTRIBUTION= + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='4d9cb016e15b4713ba94ff46fce879d5' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='3857' - PS1='# ' - PS2='> ' + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=51430 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.CybhnBt5Tl/pbuilderrc_lYv4 --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.CybhnBt5Tl/b1 --logfile b1/build.log cp2k_6.1-2.dsc' - SUDO_GID='111' - SUDO_UID='106' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://85.184.249.68:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.CybhnBt5Tl/pbuilderrc_Kcsv --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.CybhnBt5Tl/b2 --logfile b2/build.log cp2k_6.1-2.dsc' + SUDO_GID=110 + SUDO_UID=105 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://78.137.99.97:3128 I: uname -a - Linux ionos15-amd64 5.9.0-0.bpo.2-amd64 #1 SMP Debian 5.9.6-1~bpo10+1 (2020-11-19) x86_64 GNU/Linux + Linux i-capture-the-hostname 4.19.0-13-amd64 #1 SMP Debian 4.19.160-2 (2020-11-28) x86_64 GNU/Linux I: ls -l /bin total 5116 - -rwxr-xr-x 1 root root 1168776 Apr 17 2019 bash - -rwxr-xr-x 3 root root 38984 Jul 10 2019 bunzip2 - -rwxr-xr-x 3 root root 38984 Jul 10 2019 bzcat - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzcmp -> bzdiff - -rwxr-xr-x 1 root root 2227 Jul 10 2019 bzdiff - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzegrep -> bzgrep - -rwxr-xr-x 1 root root 4877 Jun 24 2019 bzexe - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzfgrep -> bzgrep - -rwxr-xr-x 1 root root 3641 Jul 10 2019 bzgrep - -rwxr-xr-x 3 root root 38984 Jul 10 2019 bzip2 - -rwxr-xr-x 1 root root 14328 Jul 10 2019 bzip2recover - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzless -> bzmore - -rwxr-xr-x 1 root root 1297 Jul 10 2019 bzmore - -rwxr-xr-x 1 root root 43744 Feb 28 2019 cat - -rwxr-xr-x 1 root root 64320 Feb 28 2019 chgrp - -rwxr-xr-x 1 root root 64288 Feb 28 2019 chmod - -rwxr-xr-x 1 root root 72512 Feb 28 2019 chown - -rwxr-xr-x 1 root root 146880 Feb 28 2019 cp - -rwxr-xr-x 1 root root 121464 Jan 17 2019 dash - -rwxr-xr-x 1 root root 109408 Feb 28 2019 date - -rwxr-xr-x 1 root root 76712 Feb 28 2019 dd - -rwxr-xr-x 1 root root 93744 Feb 28 2019 df - -rwxr-xr-x 1 root root 138856 Feb 28 2019 dir - -rwxr-xr-x 1 root root 84288 Jan 9 2019 dmesg - lrwxrwxrwx 1 root root 8 Sep 26 2018 dnsdomainname -> hostname - lrwxrwxrwx 1 root root 8 Sep 26 2018 domainname -> hostname - -rwxr-xr-x 1 root root 39520 Feb 28 2019 echo - -rwxr-xr-x 1 root root 28 Jan 7 2019 egrep - -rwxr-xr-x 1 root root 35424 Feb 28 2019 false - -rwxr-xr-x 1 root root 28 Jan 7 2019 fgrep - -rwxr-xr-x 1 root root 68880 Jan 9 2019 findmnt - -rwsr-xr-x 1 root root 34896 Apr 22 2020 fusermount - -rwxr-xr-x 1 root root 198976 Jan 7 2019 grep - -rwxr-xr-x 2 root root 2345 Jan 5 2019 gunzip - -rwxr-xr-x 1 root root 6375 Jan 5 2019 gzexe - -rwxr-xr-x 1 root root 98048 Jan 5 2019 gzip - -rwxr-xr-x 1 root root 26696 Sep 26 2018 hostname - -rwxr-xr-x 1 root root 68552 Feb 28 2019 ln - -rwxr-xr-x 1 root root 56760 Jul 26 2018 login - -rwxr-xr-x 1 root root 138856 Feb 28 2019 ls - -rwxr-xr-x 1 root root 108624 Jan 9 2019 lsblk - -rwxr-xr-x 1 root root 89088 Feb 28 2019 mkdir - -rwxr-xr-x 1 root root 68544 Feb 28 2019 mknod - -rwxr-xr-x 1 root root 43808 Feb 28 2019 mktemp - -rwxr-xr-x 1 root root 43008 Jan 9 2019 more - -rwsr-xr-x 1 root root 51280 Jan 9 2019 mount - -rwxr-xr-x 1 root root 14408 Jan 9 2019 mountpoint - -rwxr-xr-x 1 root root 138728 Feb 28 2019 mv - lrwxrwxrwx 1 root root 8 Sep 26 2018 nisdomainname -> hostname - lrwxrwxrwx 1 root root 14 Feb 14 2019 pidof -> /sbin/killall5 - -rwxr-xr-x 1 root root 39616 Feb 28 2019 pwd - lrwxrwxrwx 1 root root 4 Apr 17 2019 rbash -> bash - -rwxr-xr-x 1 root root 47776 Feb 28 2019 readlink - -rwxr-xr-x 1 root root 68416 Feb 28 2019 rm - -rwxr-xr-x 1 root root 47776 Feb 28 2019 rmdir - -rwxr-xr-x 1 root root 23312 Jan 21 2019 run-parts - -rwxr-xr-x 1 root root 122224 Dec 22 2018 sed - lrwxrwxrwx 1 root root 4 Feb 9 02:47 sh -> dash - -rwxr-xr-x 1 root root 39552 Feb 28 2019 sleep - -rwxr-xr-x 1 root root 80672 Feb 28 2019 stty - -rwsr-xr-x 1 root root 63568 Jan 9 2019 su - -rwxr-xr-x 1 root root 35488 Feb 28 2019 sync - -rwxr-xr-x 1 root root 445560 Apr 23 2019 tar - -rwxr-xr-x 1 root root 14440 Jan 21 2019 tempfile - -rwxr-xr-x 1 root root 97152 Feb 28 2019 touch - -rwxr-xr-x 1 root root 35424 Feb 28 2019 true - -rwxr-xr-x 1 root root 14328 Apr 22 2020 ulockmgr_server - -rwsr-xr-x 1 root root 34888 Jan 9 2019 umount - -rwxr-xr-x 1 root root 39584 Feb 28 2019 uname - -rwxr-xr-x 2 root root 2345 Jan 5 2019 uncompress - -rwxr-xr-x 1 root root 138856 Feb 28 2019 vdir - -rwxr-xr-x 1 root root 34896 Jan 9 2019 wdctl - -rwxr-xr-x 1 root root 946 Jan 21 2019 which - lrwxrwxrwx 1 root root 8 Sep 26 2018 ypdomainname -> hostname - -rwxr-xr-x 1 root root 1983 Jan 5 2019 zcat - -rwxr-xr-x 1 root root 1677 Jan 5 2019 zcmp - -rwxr-xr-x 1 root root 5879 Jan 5 2019 zdiff - -rwxr-xr-x 1 root root 29 Jan 5 2019 zegrep - -rwxr-xr-x 1 root root 29 Jan 5 2019 zfgrep - -rwxr-xr-x 1 root root 2080 Jan 5 2019 zforce - -rwxr-xr-x 1 root root 7584 Jan 5 2019 zgrep - -rwxr-xr-x 1 root root 2205 Jan 5 2019 zless - -rwxr-xr-x 1 root root 1841 Jan 5 2019 zmore - -rwxr-xr-x 1 root root 4552 Jan 5 2019 znew -I: user script /srv/workspace/pbuilder/3857/tmp/hooks/D02_print_environment finished + -rwxr-xr-x 1 root root 1168776 Apr 18 2019 bash + -rwxr-xr-x 3 root root 38984 Jul 11 2019 bunzip2 + -rwxr-xr-x 3 root root 38984 Jul 11 2019 bzcat + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzcmp -> bzdiff + -rwxr-xr-x 1 root root 2227 Jul 11 2019 bzdiff + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzegrep -> bzgrep + -rwxr-xr-x 1 root root 4877 Jun 25 2019 bzexe + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzfgrep -> bzgrep + -rwxr-xr-x 1 root root 3641 Jul 11 2019 bzgrep + -rwxr-xr-x 3 root root 38984 Jul 11 2019 bzip2 + -rwxr-xr-x 1 root root 14328 Jul 11 2019 bzip2recover + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzless -> bzmore + -rwxr-xr-x 1 root root 1297 Jul 11 2019 bzmore + -rwxr-xr-x 1 root root 43744 Mar 1 2019 cat + -rwxr-xr-x 1 root root 64320 Mar 1 2019 chgrp + -rwxr-xr-x 1 root root 64288 Mar 1 2019 chmod + -rwxr-xr-x 1 root root 72512 Mar 1 2019 chown + -rwxr-xr-x 1 root root 146880 Mar 1 2019 cp + -rwxr-xr-x 1 root root 121464 Jan 18 2019 dash + -rwxr-xr-x 1 root root 109408 Mar 1 2019 date + -rwxr-xr-x 1 root root 76712 Mar 1 2019 dd + -rwxr-xr-x 1 root root 93744 Mar 1 2019 df + -rwxr-xr-x 1 root root 138856 Mar 1 2019 dir + -rwxr-xr-x 1 root root 84288 Jan 10 2019 dmesg + lrwxrwxrwx 1 root root 8 Sep 27 2018 dnsdomainname -> hostname + lrwxrwxrwx 1 root root 8 Sep 27 2018 domainname -> hostname + -rwxr-xr-x 1 root root 39520 Mar 1 2019 echo + -rwxr-xr-x 1 root root 28 Jan 8 2019 egrep + -rwxr-xr-x 1 root root 35424 Mar 1 2019 false + -rwxr-xr-x 1 root root 28 Jan 8 2019 fgrep + -rwxr-xr-x 1 root root 68880 Jan 10 2019 findmnt + -rwsr-xr-x 1 root root 34896 Apr 23 2020 fusermount + -rwxr-xr-x 1 root root 198976 Jan 8 2019 grep + -rwxr-xr-x 2 root root 2345 Jan 6 2019 gunzip + -rwxr-xr-x 1 root root 6375 Jan 6 2019 gzexe + -rwxr-xr-x 1 root root 98048 Jan 6 2019 gzip + -rwxr-xr-x 1 root root 26696 Sep 27 2018 hostname + -rwxr-xr-x 1 root root 68552 Mar 1 2019 ln + -rwxr-xr-x 1 root root 56760 Jul 27 2018 login + -rwxr-xr-x 1 root root 138856 Mar 1 2019 ls + -rwxr-xr-x 1 root root 108624 Jan 10 2019 lsblk + -rwxr-xr-x 1 root root 89088 Mar 1 2019 mkdir + -rwxr-xr-x 1 root root 68544 Mar 1 2019 mknod + -rwxr-xr-x 1 root root 43808 Mar 1 2019 mktemp + -rwxr-xr-x 1 root root 43008 Jan 10 2019 more + -rwsr-xr-x 1 root root 51280 Jan 10 2019 mount + -rwxr-xr-x 1 root root 14408 Jan 10 2019 mountpoint + -rwxr-xr-x 1 root root 138728 Mar 1 2019 mv + lrwxrwxrwx 1 root root 8 Sep 27 2018 nisdomainname -> hostname + lrwxrwxrwx 1 root root 14 Feb 15 2019 pidof -> /sbin/killall5 + -rwxr-xr-x 1 root root 39616 Mar 1 2019 pwd + lrwxrwxrwx 1 root root 4 Apr 18 2019 rbash -> bash + -rwxr-xr-x 1 root root 47776 Mar 1 2019 readlink + -rwxr-xr-x 1 root root 68416 Mar 1 2019 rm + -rwxr-xr-x 1 root root 47776 Mar 1 2019 rmdir + -rwxr-xr-x 1 root root 23312 Jan 22 2019 run-parts + -rwxr-xr-x 1 root root 122224 Dec 23 2018 sed + lrwxrwxrwx 1 root root 4 Jan 16 12:45 sh -> bash + lrwxrwxrwx 1 root root 4 Jan 7 22:26 sh.distrib -> dash + -rwxr-xr-x 1 root root 39552 Mar 1 2019 sleep + -rwxr-xr-x 1 root root 80672 Mar 1 2019 stty + -rwsr-xr-x 1 root root 63568 Jan 10 2019 su + -rwxr-xr-x 1 root root 35488 Mar 1 2019 sync + -rwxr-xr-x 1 root root 445560 Apr 24 2019 tar + -rwxr-xr-x 1 root root 14440 Jan 22 2019 tempfile + -rwxr-xr-x 1 root root 97152 Mar 1 2019 touch + -rwxr-xr-x 1 root root 35424 Mar 1 2019 true + -rwxr-xr-x 1 root root 14328 Apr 23 2020 ulockmgr_server + -rwsr-xr-x 1 root root 34888 Jan 10 2019 umount + -rwxr-xr-x 1 root root 39584 Mar 1 2019 uname + -rwxr-xr-x 2 root root 2345 Jan 6 2019 uncompress + -rwxr-xr-x 1 root root 138856 Mar 1 2019 vdir + -rwxr-xr-x 1 root root 34896 Jan 10 2019 wdctl + -rwxr-xr-x 1 root root 946 Jan 22 2019 which + lrwxrwxrwx 1 root root 8 Sep 27 2018 ypdomainname -> hostname + -rwxr-xr-x 1 root root 1983 Jan 6 2019 zcat + -rwxr-xr-x 1 root root 1677 Jan 6 2019 zcmp + -rwxr-xr-x 1 root root 5879 Jan 6 2019 zdiff + -rwxr-xr-x 1 root root 29 Jan 6 2019 zegrep + -rwxr-xr-x 1 root root 29 Jan 6 2019 zfgrep + -rwxr-xr-x 1 root root 2080 Jan 6 2019 zforce + -rwxr-xr-x 1 root root 7584 Jan 6 2019 zgrep + -rwxr-xr-x 1 root root 2205 Jan 6 2019 zless + -rwxr-xr-x 1 root root 1841 Jan 6 2019 zmore + -rwxr-xr-x 1 root root 4552 Jan 6 2019 znew +I: user script /srv/workspace/pbuilder/51430/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -382,7 +416,7 @@ Get: 154 http://deb.debian.org/debian buster/main amd64 libxc5 amd64 4.2.3-3 [1996 kB] Get: 155 http://deb.debian.org/debian buster/main amd64 libxc-dev amd64 4.2.3-3 [3282 kB] Get: 156 http://deb.debian.org/debian buster/main amd64 pkg-config amd64 0.29-6 [63.5 kB] -Fetched 119 MB in 2s (57.3 MB/s) +Fetched 119 MB in 3s (37.6 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libbsd0:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19195 files and directories currently installed.) @@ -1194,7 +1228,7 @@ fakeroot is already the newest version (1.23-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/cp2k-6.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b +I: Running cd /build/cp2k-6.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b dpkg-buildpackage: info: source package cp2k dpkg-buildpackage: info: source version 6.1-2 dpkg-buildpackage: info: source distribution unstable @@ -1238,9 +1272,9 @@ Removing stale archives for popt ... Resolving dependencies for popt ... /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/base/kinds.F kinds.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/cp2k-6.1/src/base/' kinds.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/cp2k-6.1/src/base/' kinds.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/base/machine_internal.F machine_internal.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine_internal.F\"" -I'/build/cp2k-6.1/src/base/' machine_internal.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine_internal.F\"" -I'/build/cp2k-6.1/src/base/' machine_internal.F90 /build/cp2k-6.1/src/base/machine_posix.f90:31:22: SUBROUTINE abort() BIND(C,name="abort") @@ -1282,24 +1316,24 @@ 1 Warning: 'getpid' declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/base/machine.F machine.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/cp2k-6.1/src/base/' machine.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/cp2k-6.1/src/base/' machine.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/base/array_types.F array_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/array_types.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' array_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/array_types.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' array_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/base/base_hooks.F base_hooks.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/cp2k-6.1/src/base/' base_hooks.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/cp2k-6.1/src/base/' base_hooks.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/acc/acc_stream.F acc_stream.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"acc/acc_stream.F\"" -I'/build/cp2k-6.1/src/acc/' acc_stream.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"acc/acc_stream.F\"" -I'/build/cp2k-6.1/src/acc/' acc_stream.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/acc/acc_event.F acc_event.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"acc/acc_event.F\"" -I'/build/cp2k-6.1/src/acc/' acc_event.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"acc/acc_event.F\"" -I'/build/cp2k-6.1/src/acc/' acc_event.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/acc/acc_devmem.F acc_devmem.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"acc/acc_devmem.F\"" -I'/build/cp2k-6.1/src/acc/' acc_devmem.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"acc/acc_devmem.F\"" -I'/build/cp2k-6.1/src/acc/' acc_devmem.F90 /build/cp2k-6.1/src/acc/acc_devmem.F:353:0: SUBROUTINE acc_devmem_info(free, avail) Warning: 'acc_devmem_info' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/data/dbcsr_data_types.F dbcsr_data_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/data/dbcsr_data_types.F\"" -I'/build/cp2k-6.1/src/dbcsr/data/' dbcsr_data_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/data/dbcsr_data_types.F\"" -I'/build/cp2k-6.1/src/dbcsr/data/' dbcsr_data_types.F90 /build/cp2k-6.1/src/dbcsr/data/dbcsr_data_types.F:173:0: END FUNCTION dbcsr_datatype_sizeof @@ -1311,15 +1345,15 @@ note: 'size' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/base/btree.F btree.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/btree.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' btree.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/btree.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' btree.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/base/dbcsr_types.F dbcsr_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/dbcsr_types.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' dbcsr_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/dbcsr_types.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' dbcsr_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/base/dbcsr_array_sort.F dbcsr_array_sort.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/dbcsr_array_sort.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' dbcsr_array_sort.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/dbcsr_array_sort.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' dbcsr_array_sort.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/base/dbcsr_toollib.F dbcsr_toollib.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/dbcsr_toollib.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' dbcsr_toollib.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/dbcsr_toollib.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' dbcsr_toollib.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mpiwrap/message_passing.F message_passing.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/cp2k-6.1/src/mpiwrap/' message_passing.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/cp2k-6.1/src/mpiwrap/' message_passing.F90 /build/cp2k-6.1/src/mpiwrap/message_passing.F:3392:0: SUBROUTINE mp_file_read_at_chv(fh, offset, msg, msglen) @@ -1506,11 +1540,11 @@ Warning: 'mp_file_read_at_c' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/acc/acc_hostmem.F acc_hostmem.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"acc/acc_hostmem.F\"" -I'/build/cp2k-6.1/src/acc/' acc_hostmem.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"acc/acc_hostmem.F\"" -I'/build/cp2k-6.1/src/acc/' acc_hostmem.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/data/dbcsr_ptr_util.F dbcsr_ptr_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/data/dbcsr_ptr_util.F\"" -I'/build/cp2k-6.1/src/dbcsr/data/' dbcsr_ptr_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/data/dbcsr_ptr_util.F\"" -I'/build/cp2k-6.1/src/dbcsr/data/' dbcsr_ptr_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/data/dbcsr_data_methods_low.F dbcsr_data_methods_low.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/data/dbcsr_data_methods_low.F\"" -I'/build/cp2k-6.1/src/dbcsr/data/' dbcsr_data_methods_low.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/data/dbcsr_data_methods_low.F\"" -I'/build/cp2k-6.1/src/dbcsr/data/' dbcsr_data_methods_low.F90 /build/cp2k-6.1/src/dbcsr/data/dbcsr_data_methods_low.F:128:0: PURE FUNCTION dbcsr_data_unique(area) RESULT(unique) @@ -1532,15 +1566,15 @@ Warning: 'dbcsr_scalar_multiply' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/data/dbcsr_mem_methods.F dbcsr_mem_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/data/dbcsr_mem_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/data/' dbcsr_mem_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/data/dbcsr_mem_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/data/' dbcsr_mem_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/data/dbcsr_data_methods.F dbcsr_data_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/data/dbcsr_data_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/data/' dbcsr_data_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/data/dbcsr_data_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/data/' dbcsr_data_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/acc/acc_device.F acc_device.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"acc/acc_device.F\"" -I'/build/cp2k-6.1/src/acc/' acc_device.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"acc/acc_device.F\"" -I'/build/cp2k-6.1/src/acc/' acc_device.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/base/dbcsr_config.F dbcsr_config.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/dbcsr_config.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' dbcsr_config.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/dbcsr_config.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' dbcsr_config.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dist/dbcsr_min_heap.F dbcsr_min_heap.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_min_heap.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_min_heap.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_min_heap.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_min_heap.F90 /build/cp2k-6.1/src/dbcsr/dist/dbcsr_min_heap.F:70:0: ELEMENTAL FUNCTION get_right_child(n) RESULT(child) @@ -1552,20 +1586,20 @@ Warning: 'get_value_by_key' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/base/dbcsr_methods.F dbcsr_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/dbcsr_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' dbcsr_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/base/dbcsr_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/base/' dbcsr_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dist/dbcsr_mp_methods.F dbcsr_mp_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_mp_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_mp_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_mp_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_mp_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dist/dbcsr_dist_methods.F dbcsr_dist_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_dist_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_dist_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_dist_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_dist_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dist/dbcsr_dist_operations.F dbcsr_dist_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_dist_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_dist_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_dist_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_dist_operations.F90 /build/cp2k-6.1/src/dbcsr/dist/dbcsr_dist_operations.F:437:0: PURE SUBROUTINE evenly_bin(array, nbins) Warning: 'evenly_bin' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/block/dbcsr_index_operations.F dbcsr_index_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_index_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_index_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_index_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_index_operations.F90 /build/cp2k-6.1/src/dbcsr/block/dbcsr_index_operations.F:1122:0: new_blk_p(new_blk) = bp @@ -1579,9 +1613,9 @@ /build/cp2k-6.1/src/dbcsr/block/dbcsr_index_operations.F:1283:0: Warning: 'global_cols.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/dbcsr/block/dbcsr_index_operations.F:1283:0: Warning: 'global_cols.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dist/dbcsr_util.F dbcsr_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_util.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_util.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/block/dbcsr_block_operations.F dbcsr_block_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_block_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_block_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_block_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_block_operations.F90 /build/cp2k-6.1/src/dbcsr/block/dbcsr_block_operations.F:1267:0: CALL acc_devmem_setzero_bytes(area%d%acc_devmem, s*l, s*u, area%d%memory_type%acc_stream) @@ -1595,17 +1629,17 @@ Warning: 'ub2_s' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/dbcsr/block/dbcsr_block_operations.F:689:0: Warning: 'lb2_s' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/block/dbcsr_data_operations.F dbcsr_data_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_data_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_data_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_data_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_data_operations.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/block/dbcsr_iterator_operations.F dbcsr_iterator_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_iterator_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_iterator_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_iterator_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_iterator_operations.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/block/dbcsr_work_operations.F dbcsr_work_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_work_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_work_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_work_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_work_operations.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/block/dbcsr_block_access.F dbcsr_block_access.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_block_access.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_block_access.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/block/dbcsr_block_access.F\"" -I'/build/cp2k-6.1/src/dbcsr/block/' dbcsr_block_access.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/ops/dbcsr_blas_operations.F dbcsr_blas_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/ops/dbcsr_blas_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/ops/' dbcsr_blas_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/ops/dbcsr_blas_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/ops/' dbcsr_blas_operations.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/ops/dbcsr_operations.F dbcsr_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/ops/dbcsr_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/ops/' dbcsr_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/ops/dbcsr_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/ops/' dbcsr_operations.F90 /build/cp2k-6.1/src/dbcsr/ops/dbcsr_operations.F:1850:0: IF (part_l_col .AND. col .EQ. block_col_bounds(2)) THEN @@ -1627,16 +1661,16 @@ Warning: 'part_f_row' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dist/dbcsr_mp_operations.F dbcsr_mp_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_mp_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_mp_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dist/dbcsr_mp_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/dist/' dbcsr_mp_operations.F90 /build/cp2k-6.1/src/dbcsr/dist/dbcsr_mp_operations.F:707:0: FUNCTION dbcsr_mp_type_indexed_make_any(count, lengths, displs, data_type) & Warning: 'dbcsr_mp_type_indexed_make_any' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/ops/dbcsr_transformations.F dbcsr_transformations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/ops/dbcsr_transformations.F\"" -I'/build/cp2k-6.1/src/dbcsr/ops/' dbcsr_transformations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/ops/dbcsr_transformations.F\"" -I'/build/cp2k-6.1/src/dbcsr/ops/' dbcsr_transformations.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/ops/dbcsr_csr_conversions.F dbcsr_csr_conversions.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/ops/dbcsr_csr_conversions.F\"" -I'/build/cp2k-6.1/src/dbcsr/ops/' dbcsr_csr_conversions.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/ops/dbcsr_csr_conversions.F\"" -I'/build/cp2k-6.1/src/dbcsr/ops/' dbcsr_csr_conversions.F90 /build/cp2k-6.1/src/dbcsr/ops/dbcsr_csr_conversions.F:995:49: csr_mat%dbcsr_mapping%dbcsr_row_blk_size = dbcsr_row_block_sizes(dbcsr_mat_nosym) @@ -1693,25 +1727,25 @@ Warning: 'dbcsr_ind' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_types.F dbcsr_mm_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_types.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_types.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_acc_operations.F dbcsr_acc_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_acc_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_acc_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_acc_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_acc_operations.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_accdrv.F dbcsr_mm_accdrv.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_accdrv.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_accdrv.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_accdrv.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_accdrv.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_hostdrv.F dbcsr_mm_hostdrv.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_hostdrv.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_hostdrv.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_hostdrv.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_hostdrv.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_sched.F dbcsr_mm_sched.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_sched.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_sched.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_sched.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_sched.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_csr.F dbcsr_mm_csr.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_csr.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_csr.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_csr.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_csr.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_multrec.F dbcsr_mm_multrec.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_multrec.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_multrec.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_multrec.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_multrec.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_dist_operations.F dbcsr_mm_dist_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_dist_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_dist_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_dist_operations.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_dist_operations.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_common.F dbcsr_mm_common.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_common.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_common.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_common.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_common.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_3d.F dbcsr_mm_3d.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_3d.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_3d.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_3d.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_3d.F90 /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_3d.F:850:0: IF (do_part_crop_l_row .AND. stored_row .EQ. block_row_bounds(2)) THEN @@ -1748,7 +1782,7 @@ Warning: 'iright_buffer_calc' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/ops/dbcsr_io.F dbcsr_io.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/ops/dbcsr_io.F\"" -I'/build/cp2k-6.1/src/dbcsr/ops/' dbcsr_io.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/ops/dbcsr_io.F\"" -I'/build/cp2k-6.1/src/dbcsr/ops/' dbcsr_io.F90 /build/cp2k-6.1/src/dbcsr/ops/dbcsr_io.F:183:0: bc = local_cols(bc) @@ -1768,7 +1802,7 @@ Warning: 'local_cols.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/dbcsr/ops/dbcsr_io.F:183:0: Warning: 'local_cols.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_cannon.F dbcsr_mm_cannon.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_cannon.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_cannon.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_cannon.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm_cannon.F90 /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm_cannon.f90:56:0: IF (ncol_images .GT. 1) col_img = col_img_dist(stored_col) @@ -1810,7 +1844,7 @@ note: 'row_img_dist.offset' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm.F dbcsr_mm.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_mm.F90 /build/cp2k-6.1/src/dbcsr/mm/dbcsr_mm.F:897:0: IF (transpose_right) CALL dbcsr_release(matrix_right) @@ -1822,15 +1856,15 @@ Warning: 'transpose_left' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/mm/dbcsr_multiply_api.F dbcsr_multiply_api.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_multiply_api.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_multiply_api.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_multiply_api.F\"" -I'/build/cp2k-6.1/src/dbcsr/mm/' dbcsr_multiply_api.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_lib.F dbcsr_lib.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_lib.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_lib.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_lib.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_lib.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_test_methods.F dbcsr_test_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_test_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_test_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_test_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_test_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_tests.F dbcsr_tests.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_tests.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_tests.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_tests.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_tests.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_api.F dbcsr_api.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_api.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_api.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_api.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_api.F90 /build/cp2k-6.1/src/dbcsr/dbcsr_api.f90:15:0: FUNCTION make_conformant_scalar_${nametype1}$ (scalar, matrix) RESULT (encapsulated) @@ -1847,9 +1881,9 @@ Warning: 'make_conformant_scalar_c' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_example_1.F dbcsr_example_1.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_example_1.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_example_1.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_example_1.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_example_1.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_test_add.F dbcsr_test_add.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_test_add.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_test_add.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_test_add.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_test_add.F90 /build/cp2k-6.1/src/dbcsr/dbcsr_test_add.F:579:0: residual/((a_norm_in+b_norm)*n*eps) @@ -1861,7 +1895,7 @@ note: 'eps' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_test_multiply.F dbcsr_test_multiply.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_test_multiply.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_test_multiply.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_test_multiply.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_test_multiply.F90 /build/cp2k-6.1/src/dbcsr/dbcsr_test_multiply.F:787:0: residual/((a_norm+b_norm+c_norm_in)*n*eps) @@ -1873,7 +1907,7 @@ note: 'eps' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_performance_multiply.F dbcsr_performance_multiply.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_performance_multiply.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_performance_multiply.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_performance_multiply.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_performance_multiply.F90 Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libdbcsr.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libdbcsr.a Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libdbcsrmm.a @@ -1912,50 +1946,50 @@ ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kaccopencl.a Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kbase.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kbase.a -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_example_1.popt dbcsr_example_1.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_example_1.popt dbcsr_example_1.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_example_2.F dbcsr_example_2.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_example_2.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_example_2.F90 -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 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-D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_example_2.popt dbcsr_example_2.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_example_3.F dbcsr_example_3.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_example_3.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_example_3.F90 -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_example_3.popt dbcsr_example_3.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_example_3.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_example_3.F90 +gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_example_3.popt dbcsr_example_3.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_performance_driver.F dbcsr_performance_driver.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_performance_driver.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_performance_driver.F90 -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_performance_driver.popt dbcsr_performance_driver.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_performance_driver.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_performance_driver.F90 +gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_performance_driver.popt dbcsr_performance_driver.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_test_csr_conversions.F dbcsr_test_csr_conversions.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_test_csr_conversions.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_test_csr_conversions.F90 -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_test_csr_conversions.popt dbcsr_test_csr_conversions.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_test_csr_conversions.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_test_csr_conversions.F90 +gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_test_csr_conversions.popt dbcsr_test_csr_conversions.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr/dbcsr_unittest.F dbcsr_unittest.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_unittest.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_unittest.F90 -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_unittest.popt dbcsr_unittest.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr/dbcsr_unittest.F\"" -I'/build/cp2k-6.1/src/dbcsr/' dbcsr_unittest.F90 +gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_unittest.popt dbcsr_unittest.o -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr_tensor/allocate_wrap.F allocate_wrap.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/allocate_wrap.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' allocate_wrap.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/allocate_wrap.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' allocate_wrap.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor_index.F dbcsr_tensor_index.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_index.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_index.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_index.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_index.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr_tensor/array_list_methods.F array_list_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/array_list_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' array_list_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/array_list_methods.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' array_list_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor_types.F dbcsr_tensor_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_types.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_types.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_types.F90 /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor_types.F:371:0: SUBROUTINE dbcsr_t_create_matrix(matrix_in, tensor, order, name) Warning: 'dbcsr_t_create_matrix' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor_block.F dbcsr_tensor_block.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_block.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_block.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_block.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_block.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_array_sort.F cp_array_sort.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/cp2k-6.1/src/common/' cp_array_sort.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/cp2k-6.1/src/common/' cp_array_sort.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/util.F util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/cp2k-6.1/src/common/' util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/cp2k-6.1/src/common/' util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor_reshape.F dbcsr_tensor_reshape.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_reshape.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_reshape.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_reshape.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_reshape.F90 /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor_reshape.F:279:0: SUBROUTINE block_buffer_iterator_reset(buffer) Warning: 'block_buffer_iterator_reset' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor.F dbcsr_tensor.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor.F90 /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor.F:144:0: SUBROUTINE dbcsr_t_copy_matrix(matrix_in, tensor_out) @@ -1972,7 +2006,7 @@ Warning: 'compat_1_trans[1]{lb: 1 sz: 1}' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor_test.F dbcsr_tensor_test.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_test.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_test.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_test.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_test.F90 /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor_test.F:653:0: SUBROUTINE dist_sparse_tensor_to_repl_dense_${ndim}$d_array_${dsuffix}$(tensor, array) @@ -2104,19 +2138,19 @@ note: '__result_blocks_equal' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor_unittest.F dbcsr_tensor_unittest.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_unittest.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_unittest.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_unittest.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_unittest.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsr_tensor/dbcsr_tensor_api.F dbcsr_tensor_api.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_api.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_api.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsr_tensor/dbcsr_tensor_api.F\"" -I'/build/cp2k-6.1/src/dbcsr_tensor/' dbcsr_tensor_api.F90 Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kdbcsr_tensor.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kdbcsr_tensor.a /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/timings_base_type.F timings_base_type.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/cp2k-6.1/src/common/' timings_base_type.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/cp2k-6.1/src/common/' timings_base_type.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/list_callstackentry.F list_callstackentry.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/cp2k-6.1/src/common/' list_callstackentry.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/cp2k-6.1/src/common/' list_callstackentry.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/list_routinestat.F list_routinestat.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/cp2k-6.1/src/common/' list_routinestat.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/cp2k-6.1/src/common/' list_routinestat.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/dict.F dict.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/dict.F\"" -I'/build/cp2k-6.1/src/common/' dict.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/dict.F\"" -I'/build/cp2k-6.1/src/common/' dict.F90 /build/cp2k-6.1/src/common/dict.F:169:0: FUNCTION dict_${keytype}$_${valuetype}$_isready(dict) RESULT(res) @@ -2168,49 +2202,49 @@ note: 'value' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/timings_types.F timings_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/cp2k-6.1/src/common/' timings_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/cp2k-6.1/src/common/' timings_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/list_timerenv.F list_timerenv.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/cp2k-6.1/src/common/' list_timerenv.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/cp2k-6.1/src/common/' list_timerenv.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/list_routinereport.F list_routinereport.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/cp2k-6.1/src/common/' list_routinereport.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/cp2k-6.1/src/common/' list_routinereport.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/list.F list.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/cp2k-6.1/src/common/' list.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/cp2k-6.1/src/common/' list.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cuda_profiling.F cuda_profiling.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cuda_profiling.F\"" -I'/build/cp2k-6.1/src/common/' cuda_profiling.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cuda_profiling.F\"" -I'/build/cp2k-6.1/src/common/' cuda_profiling.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/timings.F timings.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/cp2k-6.1/src/common/' timings.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/cp2k-6.1/src/common/' timings.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/string_table.F string_table.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/cp2k-6.1/src/common/' string_table.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/cp2k-6.1/src/common/' string_table.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/kahan_sum.F kahan_sum.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/cp2k-6.1/src/common/' kahan_sum.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/cp2k-6.1/src/common/' kahan_sum.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_iter_types.F cp_iter_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/cp2k-6.1/src/common/' cp_iter_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/cp2k-6.1/src/common/' cp_iter_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_para_types.F cp_para_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_types.F\"" -I'/build/cp2k-6.1/src/common/' cp_para_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_types.F\"" -I'/build/cp2k-6.1/src/common/' cp_para_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_files.F cp_files.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/cp2k-6.1/src/common/' cp_files.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/cp2k-6.1/src/common/' cp_files.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/glob_matching.F glob_matching.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/glob_matching.F\"" -I'/build/cp2k-6.1/src/common/' glob_matching.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/glob_matching.F\"" -I'/build/cp2k-6.1/src/common/' glob_matching.F90 glob_matching.F90:17:54: 1 Warning: CHARACTER expression at (1) is being truncated (2/1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/string_utilities.F string_utilities.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/cp2k-6.1/src/common/' string_utilities.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/cp2k-6.1/src/common/' string_utilities.F90 string_utilities.F90:23:45: 1 Warning: CHARACTER expression at (1) is being truncated (2/1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_log_handling.F cp_log_handling.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/cp2k-6.1/src/common/' cp_log_handling.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/cp2k-6.1/src/common/' cp_log_handling.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_array_utils.F cp_array_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/cp2k-6.1/src/common/' cp_array_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/cp2k-6.1/src/common/' cp_array_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/mathconstants.F mathconstants.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/cp2k-6.1/src/common/' mathconstants.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/cp2k-6.1/src/common/' mathconstants.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/powell.F powell.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/cp2k-6.1/src/common/' powell.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/cp2k-6.1/src/common/' powell.F90 /build/cp2k-6.1/src/common/powell.F:1608:0: tempb=tempb-taumax @@ -2253,9 +2287,9 @@ note: 'bstep' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_para_env.F cp_para_env.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_env.F\"" -I'/build/cp2k-6.1/src/common/' cp_para_env.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_para_env.F\"" -I'/build/cp2k-6.1/src/common/' cp_para_env.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/memory_utilities.F memory_utilities.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/cp2k-6.1/src/common/' memory_utilities.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/cp2k-6.1/src/common/' memory_utilities.F90 /build/cp2k-6.1/src/common/memory_utilities.F:478:0: $: reallocate(rank=5) @@ -2270,7 +2304,7 @@ Warning: 'ub1' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/common/memory_utilities.F:443:0: Warning: 'lb1' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/parallel_rng_types.F parallel_rng_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/cp2k-6.1/src/common/' parallel_rng_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/cp2k-6.1/src/common/' parallel_rng_types.F90 /build/cp2k-6.1/src/common/parallel_rng_types.F:1047:0: END FUNCTION next_real_random_number @@ -2282,13 +2316,13 @@ note: 'u' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/lapack.F lapack.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/cp2k-6.1/src/common/' lapack.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/cp2k-6.1/src/common/' lapack.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/structure_factor_types.F structure_factor_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/cp2k-6.1/src/common/' structure_factor_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/cp2k-6.1/src/common/' structure_factor_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/structure_factors.F structure_factors.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/cp2k-6.1/src/common/' structure_factors.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/cp2k-6.1/src/common/' structure_factors.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/xml_parser.F xml_parser.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/xml_parser.F\"" -I'/build/cp2k-6.1/src/common/' xml_parser.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/xml_parser.F\"" -I'/build/cp2k-6.1/src/common/' xml_parser.F90 xml_parser.F90:242:0: ! ************************************************************************************************** @@ -2305,9 +2339,9 @@ Warning: 'xml_process' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/periodic_table.F periodic_table.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/cp2k-6.1/src/common/' periodic_table.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/cp2k-6.1/src/common/' periodic_table.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/mathlib.F mathlib.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/cp2k-6.1/src/common/' mathlib.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/cp2k-6.1/src/common/' mathlib.F90 /build/cp2k-6.1/src/common/mathlib.F:1460:0: FUNCTION expint(n, x) @@ -2324,34 +2358,34 @@ note: 'fx' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/physcon.F physcon.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/cp2k-6.1/src/common/' physcon.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/cp2k-6.1/src/common/' physcon.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/spherical_harmonics.F spherical_harmonics.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/cp2k-6.1/src/common/' spherical_harmonics.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/cp2k-6.1/src/common/' spherical_harmonics.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/gamma.F gamma.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/cp2k-6.1/src/common/' gamma.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/cp2k-6.1/src/common/' gamma.F90 /build/cp2k-6.1/src/common/gamma.F:284:0: SUBROUTINE fgamma_1(nmax, t, f) Warning: 'fgamma_1' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/reference_manager.F reference_manager.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/cp2k-6.1/src/common/' reference_manager.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/cp2k-6.1/src/common/' reference_manager.F90 /build/cp2k-6.1/src/common/reference_manager.F:719:36: res=thebib(key)%ref%citation_key 1 Warning: CHARACTER expression will be truncated in assignment (80/128) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/whittaker.F whittaker.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/cp2k-6.1/src/common/' whittaker.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/cp2k-6.1/src/common/' whittaker.F90 /build/cp2k-6.1/src/common/whittaker.F:109:0: SUBROUTINE whittaker_c0(wc, r, expa, erfa, alpha, l, n) Warning: 'whittaker_c0' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_result_types.F cp_result_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/cp2k-6.1/src/common/' cp_result_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/cp2k-6.1/src/common/' cp_result_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_result_methods.F cp_result_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/cp2k-6.1/src/common/' cp_result_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/cp2k-6.1/src/common/' cp_result_methods.F90 /build/cp2k-6.1/src/common/cp_result_methods.F:280:0: CPASSERT(nrep*size_res == size_values) @@ -2363,7 +2397,7 @@ Warning: 'size_res' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/eigenvalueproblems.F eigenvalueproblems.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/cp2k-6.1/src/common/' eigenvalueproblems.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/cp2k-6.1/src/common/' eigenvalueproblems.F90 /build/cp2k-6.1/src/common/eigenvalueproblems.F:148:0: SUBROUTINE cp2k_sgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) @@ -2375,16 +2409,16 @@ Warning: 'cp2k_cgesvd' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/bibliography.F bibliography.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/cp2k-6.1/src/common/' bibliography.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/cp2k-6.1/src/common/' bibliography.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/splines.F splines.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/cp2k-6.1/src/common/' splines.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/cp2k-6.1/src/common/' splines.F90 /build/cp2k-6.1/src/common/splines.F:259:0: SUBROUTINE spline3valder(x, xi, c, val, der) Warning: 'spline3valder' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/erf_fn.F erf_fn.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/erf_fn.F\"" -I'/build/cp2k-6.1/src/common/' erf_fn.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/erf_fn.F\"" -I'/build/cp2k-6.1/src/common/' erf_fn.F90 /build/cp2k-6.1/src/common/erf_fn.F:316:3: FUNCTION erf(x) RESULT(erf_val) @@ -2396,11 +2430,11 @@ 1 Warning: 'erfc' declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/print_messages.F print_messages.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/cp2k-6.1/src/common/' print_messages.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/cp2k-6.1/src/common/' print_messages.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_error_handling.F cp_error_handling.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/cp2k-6.1/src/common/' cp_error_handling.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/cp2k-6.1/src/common/' cp_error_handling.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/lebedev.F lebedev.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/cp2k-6.1/src/common/' lebedev.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/cp2k-6.1/src/common/' lebedev.F90 /build/cp2k-6.1/src/common/lebedev.F:147:0: END FUNCTION get_number_of_lebedev_grid @@ -2412,9 +2446,9 @@ note: 'number_of_lebedev_grid' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cg_test.F cg_test.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/cp2k-6.1/src/common/' cg_test.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/cp2k-6.1/src/common/' cg_test.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/fparser.F fparser.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/cp2k-6.1/src/common/' fparser.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/cp2k-6.1/src/common/' fparser.F90 /build/cp2k-6.1/src/common/fparser.F:364:0: FUNCTION EvalErrMsg() RESULT(msg) @@ -2436,7 +2470,7 @@ Warning: 'xval' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_units.F cp_units.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/cp2k-6.1/src/common/' cp_units.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/cp2k-6.1/src/common/' cp_units.F90 /build/cp2k-6.1/src/common/cp_units.F:440:31: desc = cp_unit_desc(unit) @@ -2448,15 +2482,15 @@ Warning: 'cp_unit_set_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/bessel_lib.F bessel_lib.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/cp2k-6.1/src/common/' bessel_lib.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/cp2k-6.1/src/common/' bessel_lib.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/linear_systems.F linear_systems.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/cp2k-6.1/src/common/' linear_systems.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/cp2k-6.1/src/common/' linear_systems.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/distribution_1d_types.F distribution_1d_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/cp2k-6.1/src/common/' distribution_1d_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/cp2k-6.1/src/common/' distribution_1d_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/timings_report.F timings_report.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/cp2k-6.1/src/common/' timings_report.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/cp2k-6.1/src/common/' timings_report.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/common/cp_min_heap.F cp_min_heap.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/cp2k-6.1/src/common/' cp_min_heap.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/cp2k-6.1/src/common/' cp_min_heap.F90 /build/cp2k-6.1/src/common/cp_min_heap.F:71:0: ELEMENTAL FUNCTION get_right_child(n) RESULT(child) @@ -2469,11 +2503,11 @@ Warning: 'get_value_by_key' defined but not used [-Wunused-function] Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kcommon.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kcommon.a -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_tensor_unittest.popt dbcsr_tensor_unittest.o -lcp2kdbcsr_tensor -lcp2kcommon -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kmpiwrap -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/dbcsr_tensor_unittest.popt dbcsr_tensor_unittest.o -lcp2kdbcsr_tensor -lcp2kcommon -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kmpiwrap -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/metadyn_tools/graph_utils.F graph_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/cp2k-6.1/src/metadyn_tools/' graph_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/cp2k-6.1/src/metadyn_tools/' graph_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/metadyn_tools/graph_methods.F graph_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/cp2k-6.1/src/metadyn_tools/' graph_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/cp2k-6.1/src/metadyn_tools/' graph_methods.F90 /build/cp2k-6.1/src/metadyn_tools/graph_methods.F:498:0: dx(:, irep) = dx(:, irep)+0.5_dp*mep_input_data%kb*(yy0-avg2)*(dyy-davg2) @@ -2490,7 +2524,7 @@ Warning: 'ind' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/metadyn_tools/graph.F graph.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/cp2k-6.1/src/metadyn_tools/' graph.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/cp2k-6.1/src/metadyn_tools/' graph.F90 /build/cp2k-6.1/src/metadyn_tools/graph.F:639:25: out3=out2//"." @@ -2584,28 +2618,28 @@ Warning: 'i_map.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kmetadyn_tools.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kmetadyn_tools.a -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/graph.popt graph.o -lcp2kmetadyn_tools -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/graph.popt graph.o -lcp2kmetadyn_tools -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/cp_parser_inpp_types.F cp_parser_inpp_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_inpp_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_inpp_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/cp_parser_buffer_types.F cp_parser_buffer_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_buffer_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_buffer_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/cp_parser_ilist_types.F cp_parser_ilist_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_ilist_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_ilist_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/cp_parser_status_types.F cp_parser_status_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_status_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_status_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/cp_parser_types.F cp_parser_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_types.F90 /build/cp2k-6.1/src/input/cp_parser_types.F:106:0: SUBROUTINE parser_retain(parser) Warning: 'parser_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/input_enumeration_types.F input_enumeration_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/cp2k-6.1/src/input/' input_enumeration_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/cp2k-6.1/src/input/' input_enumeration_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/input_val_types.F input_val_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/cp2k-6.1/src/input/' input_val_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/cp2k-6.1/src/input/' input_val_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/input_keyword_types.F input_keyword_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/cp2k-6.1/src/input/' input_keyword_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/cp2k-6.1/src/input/' input_keyword_types.F90 /build/cp2k-6.1/src/input/input_keyword_types.F:698:73: my_unit = cp_unit_desc(keyword%unit, accept_undefined=.TRUE.) @@ -2622,9 +2656,9 @@ 1 Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/cp_linked_list_input.F cp_linked_list_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/cp2k-6.1/src/input/' cp_linked_list_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/cp2k-6.1/src/input/' cp_linked_list_input.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/input_section_types.F input_section_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/cp2k-6.1/src/input/' input_section_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/cp2k-6.1/src/input/' input_section_types.F90 /build/cp2k-6.1/src/input/input_section_types.F:1099:0: FUNCTION section_get_cval(section_vals, keyword_name) RESULT(res) @@ -2636,7 +2670,7 @@ Warning: 'section_get_rvals' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/cp_output_handling.F cp_output_handling.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/cp2k-6.1/src/input/' cp_output_handling.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/cp2k-6.1/src/input/' cp_output_handling.F90 /build/cp2k-6.1/src/input/cp_output_handling.F:744:23: outName = outPath @@ -2648,26 +2682,26 @@ Warning: '__builtin_memcpy' reading 1024 bytes from a region of size 1023 [-Wstringop-overflow=] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fp_types.F fp_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/cp2k-6.1/src/' fp_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/cp2k-6.1/src/' fp_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/metadynamics_types.F metadynamics_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/cp2k-6.1/src/' metadynamics_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/cp2k-6.1/src/' metadynamics_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mixed_energy_types.F mixed_energy_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/cp2k-6.1/src/' mixed_energy_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/cp2k-6.1/src/' mixed_energy_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/shell_potential_types.F shell_potential_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/cp2k-6.1/src/subsys/' shell_potential_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/cp2k-6.1/src/subsys/' shell_potential_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/orbital_pointers.F orbital_pointers.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/cp2k-6.1/src/aobasis/' orbital_pointers.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/cp2k-6.1/src/aobasis/' orbital_pointers.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/orbital_symbols.F orbital_symbols.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/cp2k-6.1/src/aobasis/' orbital_symbols.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/cp2k-6.1/src/aobasis/' orbital_symbols.F90 /build/cp2k-6.1/src/aobasis/orbital_symbols.F:127:0: i = i+1 Warning: 'i' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/orbital_transformation_matrices.F orbital_transformation_matrices.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/cp2k-6.1/src/aobasis/' orbital_transformation_matrices.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/cp2k-6.1/src/aobasis/' orbital_transformation_matrices.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ao_util.F ao_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/cp2k-6.1/src/aobasis/' ao_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/cp2k-6.1/src/aobasis/' ao_util.F90 /build/cp2k-6.1/src/aobasis/ao_util.F:475:0: SUBROUTINE transform_c2s(CPC_co, CPC_so, maxl, lm1, lm2) @@ -2699,23 +2733,23 @@ Warning: 'a' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/cp_parser_ilist_methods.F cp_parser_ilist_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_ilist_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_ilist_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/cp_parser_inpp_methods.F cp_parser_inpp_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_inpp_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_inpp_methods.F90 /build/cp2k-6.1/src/input/cp_parser_inpp_methods.F:212:54: filename = "xc_section"//'/'//filename 1 Warning: CHARACTER expression will be truncated in assignment (1024/1035) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/cp_parser_methods.F cp_parser_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/cp2k-6.1/src/input/' cp_parser_methods.F90 /build/cp2k-6.1/src/input/cp_parser_methods.F:1403:0: object8 = object8*iz8 Warning: 'object8' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/external_potential_types.F external_potential_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/cp2k-6.1/src/subsys/' external_potential_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/cp2k-6.1/src/subsys/' external_potential_types.F90 /build/cp2k-6.1/src/subsys/external_potential_types.F:2368:0: WRITE (line_att, '(A)') " # Potential name: "//apname2(:strlen2)//" for symbol: "//symbol2(:strlen1) @@ -2735,19 +2769,19 @@ Warning: 'strlen2' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/subsys/external_potential_types.F:1557:0: Warning: 'strlen1' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/damping_dipole_types.F damping_dipole_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/cp2k-6.1/src/subsys/' damping_dipole_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/cp2k-6.1/src/subsys/' damping_dipole_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/atomic_kind_types.F atomic_kind_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/cp2k-6.1/src/subsys/' atomic_kind_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/cp2k-6.1/src/subsys/' atomic_kind_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/particle_types.F particle_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/cp2k-6.1/src/subsys/' particle_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/cp2k-6.1/src/subsys/' particle_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/particle_list_types.F particle_list_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/cp2k-6.1/src/subsys/' particle_list_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/cp2k-6.1/src/subsys/' particle_list_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/multipole_types.F multipole_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/cp2k-6.1/src/subsys/' multipole_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/cp2k-6.1/src/subsys/' multipole_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/atprop_types.F atprop_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/cp2k-6.1/src/subsys/' atprop_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/cp2k-6.1/src/subsys/' atprop_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/colvar_types.F colvar_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/cp2k-6.1/src/subsys/' colvar_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/cp2k-6.1/src/subsys/' colvar_types.F90 /build/cp2k-6.1/src/subsys/colvar_types.F:1041:0: INTEGER, DIMENSION(:), POINTER :: i_hydrogens, i_oxygens @@ -2818,29 +2852,29 @@ Warning: 'n_hydrogens' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/cell_types.F cell_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/cp2k-6.1/src/subsys/' cell_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/cp2k-6.1/src/subsys/' cell_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/force_field_kind_types.F force_field_kind_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/cp2k-6.1/src/subsys/' force_field_kind_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/cp2k-6.1/src/subsys/' force_field_kind_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/molecule_kind_types.F molecule_kind_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/cp2k-6.1/src/subsys/' molecule_kind_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/cp2k-6.1/src/subsys/' molecule_kind_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/molecule_types.F molecule_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/cp2k-6.1/src/subsys/' molecule_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/cp2k-6.1/src/subsys/' molecule_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/cp2k-6.1/src/subsys/' molecule_kind_list_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/cp2k-6.1/src/subsys/' molecule_kind_list_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/atomic_kind_list_types.F atomic_kind_list_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/cp2k-6.1/src/subsys/' atomic_kind_list_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/cp2k-6.1/src/subsys/' atomic_kind_list_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/virial_types.F virial_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/cp2k-6.1/src/subsys/' virial_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/cp2k-6.1/src/subsys/' virial_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/molecule_list_types.F molecule_list_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/cp2k-6.1/src/subsys/' molecule_list_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/cp2k-6.1/src/subsys/' molecule_list_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subsys/cp_subsys_types.F cp_subsys_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/cp2k-6.1/src/subsys/' cp_subsys_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/cp2k-6.1/src/subsys/' cp_subsys_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/pw_grid_types.F pw_grid_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/cp2k-6.1/src/pw/' pw_grid_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/cp2k-6.1/src/pw/' pw_grid_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/fft/fft_kinds.F fft_kinds.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/cp2k-6.1/src/pw/fft/' fft_kinds.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/cp2k-6.1/src/pw/fft/' fft_kinds.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/cp2k-6.1/src/pw/fft/' mltfftsg_tools.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/cp2k-6.1/src/pw/fft/' mltfftsg_tools.F90 /build/cp2k-6.1/src/pw/fft/mltfftsg_tools.F:3540:0: before(ic-i+1) = before(ic-i+2)*now(ic-i+2) @@ -2852,26 +2886,26 @@ note: 'ic' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/fft/fftsg_lib.F fftsg_lib.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/cp2k-6.1/src/pw/fft/' fftsg_lib.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/cp2k-6.1/src/pw/fft/' fftsg_lib.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/fft/fft_plan.F fft_plan.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/cp2k-6.1/src/pw/fft/' fft_plan.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/cp2k-6.1/src/pw/fft/' fft_plan.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/fft/fftw3_lib.F fftw3_lib.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/cp2k-6.1/src/pw/fft/' fftw3_lib.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/cp2k-6.1/src/pw/fft/' fftw3_lib.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/fft/fft_lib.F fft_lib.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/cp2k-6.1/src/pw/fft/' fft_lib.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/cp2k-6.1/src/pw/fft/' fft_lib.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/fast.F fast.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fast.F\"" -I'/build/cp2k-6.1/src/pw/' fast.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fast.F\"" -I'/build/cp2k-6.1/src/pw/' fast.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/fft_tools.F fft_tools.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/cp2k-6.1/src/pw/' fft_tools.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/cp2k-6.1/src/pw/' fft_tools.F90 /build/cp2k-6.1/src/pw/fft_tools.F:3309:0: fft_scratch_last%fft_scratch_next => fft_scratch_new Warning: 'fft_scratch_last' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/pw_grid_info.F pw_grid_info.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/cp2k-6.1/src/pw/' pw_grid_info.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/cp2k-6.1/src/pw/' pw_grid_info.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/pw_grids.F pw_grids.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/cp2k-6.1/src/pw/' pw_grids.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/cp2k-6.1/src/pw/' pw_grids.F90 /build/cp2k-6.1/src/pw/pw_grids.F:1485:0: mm, n, n_upperlimit, nn @@ -2898,19 +2932,19 @@ note: 'n_upperlimit' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/pw_types.F pw_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/cp2k-6.1/src/pw/' pw_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/cp2k-6.1/src/pw/' pw_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/kpoint_transitional.F kpoint_transitional.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/cp2k-6.1/src/' kpoint_transitional.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/cp2k-6.1/src/' kpoint_transitional.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_rho_types.F qs_rho_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/cp2k-6.1/src/' qs_rho_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/cp2k-6.1/src/' qs_rho_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_blacs_calls.F cp_blacs_calls.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_calls.F\"" -I'/build/cp2k-6.1/src/fm/' cp_blacs_calls.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_calls.F\"" -I'/build/cp2k-6.1/src/fm/' cp_blacs_calls.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_blacs_env.F cp_blacs_env.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/cp2k-6.1/src/fm/' cp_blacs_env.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/cp2k-6.1/src/fm/' cp_blacs_env.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_fm_struct.F cp_fm_struct.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_struct.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_struct.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_fm_types.F cp_fm_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_types.F90 /build/cp2k-6.1/src/fm/cp_fm_types.F:1892:0: SUBROUTINE cp_fm_to_fm_submat_general(source, & @@ -2927,13 +2961,13 @@ Warning: 'ic_max_local' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_constants.F input_constants.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/cp2k-6.1/src/' input_constants.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/cp2k-6.1/src/' input_constants.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hirshfeld_types.F hirshfeld_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/cp2k-6.1/src/' hirshfeld_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/cp2k-6.1/src/' hirshfeld_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_cdft_opt_types.F qs_cdft_opt_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/cp2k-6.1/src/' qs_cdft_opt_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/cp2k-6.1/src/' qs_cdft_opt_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_cdft_types.F qs_cdft_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/cp2k-6.1/src/' qs_cdft_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/cp2k-6.1/src/' qs_cdft_types.F90 /build/cp2k-6.1/src/qs_cdft_types.F:431:0: SUBROUTINE becke_control_retain(becke_control) @@ -2945,7 +2979,7 @@ Warning: 'cdft_control_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/pw_cuda.F pw_cuda.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_cuda.F\"" -I'/build/cp2k-6.1/src/pw/' pw_cuda.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_cuda.F\"" -I'/build/cp2k-6.1/src/pw/' pw_cuda.F90 /build/cp2k-6.1/src/pw/pw_cuda.F:771:0: SUBROUTINE pw_cuda_cff(pw1, pwbuf) @@ -2982,26 +3016,26 @@ Warning: 'pw_cuda_sf' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/pw_methods.F pw_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/cp2k-6.1/src/pw/' pw_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/cp2k-6.1/src/pw/' pw_methods.F90 /build/cp2k-6.1/src/pw/pw_methods.F:1558:0: pw2%in_space = out_space Warning: 'out_space' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/realspace_grid_types.F realspace_grid_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/cp2k-6.1/src/pw/' realspace_grid_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/cp2k-6.1/src/pw/' realspace_grid_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/cp_linked_list_pw.F cp_linked_list_pw.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/cp2k-6.1/src/pw/' cp_linked_list_pw.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/cp2k-6.1/src/pw/' cp_linked_list_pw.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/pw_pool_types.F pw_pool_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/cp2k-6.1/src/pw/' pw_pool_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/cp2k-6.1/src/pw/' pw_pool_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/dielectric_types.F dielectric_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/cp2k-6.1/src/pw/' dielectric_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/cp2k-6.1/src/pw/' dielectric_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/dirichlet_bc_types.F dirichlet_bc_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/cp2k-6.1/src/pw/' dirichlet_bc_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/cp2k-6.1/src/pw/' dirichlet_bc_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/ps_wavelet_types.F ps_wavelet_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/dct.F dct.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/cp2k-6.1/src/pw/' dct.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/cp2k-6.1/src/pw/' dct.F90 /build/cp2k-6.1/src/pw/dct.F:279:0: maxn_sendrecv, rs_dim1, rs_dim2, & @@ -3063,30 +3097,30 @@ Warning: 'maxn_sendrecv' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/ps_implicit_types.F ps_implicit_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/cp2k-6.1/src/pw/' ps_implicit_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/cp2k-6.1/src/pw/' ps_implicit_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/mt_util.F mt_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/cp2k-6.1/src/pw/' mt_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/cp2k-6.1/src/pw/' mt_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/pw_poisson_types.F pw_poisson_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/cp2k-6.1/src/pw/' pw_poisson_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/cp2k-6.1/src/pw/' pw_poisson_types.F90 /build/cp2k-6.1/src/pw/pw_poisson_types.F:448:0: SUBROUTINE pw_green_retain(gftype) Warning: 'pw_green_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/dg_rho0_types.F dg_rho0_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/cp2k-6.1/src/pw/' dg_rho0_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/cp2k-6.1/src/pw/' dg_rho0_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/dg_types.F dg_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/cp2k-6.1/src/pw/' dg_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/cp2k-6.1/src/pw/' dg_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/taper_types.F taper_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/cp2k-6.1/src/' taper_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/cp2k-6.1/src/' taper_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_mpole_types.F semi_empirical_mpole_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_mpole_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_mpole_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_expns3_types.F semi_empirical_expns3_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_expns3_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_expns3_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/sto_ng.F sto_ng.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/cp2k-6.1/src/aobasis/' sto_ng.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/cp2k-6.1/src/aobasis/' sto_ng.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_coulomb.F ai_coulomb.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_coulomb.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_coulomb.F90 /build/cp2k-6.1/src/aobasis/ai_coulomb.F:1569:0: fcz*v(coset(ax, ay, az), 1, cocz, n+1) @@ -3103,7 +3137,7 @@ Warning: 'rbp[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/basis_set_types.F basis_set_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/cp2k-6.1/src/aobasis/' basis_set_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/cp2k-6.1/src/aobasis/' basis_set_types.F90 /build/cp2k-6.1/src/aobasis/basis_set_types.F:514:37: bout%name = bout%name//bad%name @@ -3139,28 +3173,28 @@ Warning: 'nshell' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_types.F semi_empirical_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_types.F90 /build/cp2k-6.1/src/semi_empirical_types.F:464:0: SUBROUTINE set_se_param(sep, name, typ, defined, z, zeff, natorb, eheat, & Warning: 'set_se_param' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/basis_set_container_types.F basis_set_container_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/cp2k-6.1/src/aobasis/' basis_set_container_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/cp2k-6.1/src/aobasis/' basis_set_container_types.F90 /build/cp2k-6.1/src/aobasis/basis_set_container_types.F:169:0: INTEGER :: basis_nr, i, ibas Warning: 'ibas' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xas_control.F xas_control.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/cp2k-6.1/src/' xas_control.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/cp2k-6.1/src/' xas_control.F90 /build/cp2k-6.1/src/xas_control.F:307:0: SUBROUTINE xas_control_retain(xas_control) Warning: 'xas_control_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_control_types.F cp_control_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/cp2k-6.1/src/' cp_control_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/cp2k-6.1/src/' cp_control_types.F90 /build/cp2k-6.1/src/cp_control_types.F:560:0: SUBROUTINE mulliken_control_retain(mulliken_restraint_control) @@ -3177,11 +3211,11 @@ Warning: 's2_control_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/paw_proj_set_types.F paw_proj_set_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/cp2k-6.1/src/' paw_proj_set_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/cp2k-6.1/src/' paw_proj_set_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dftb_types.F qs_dftb_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_upf.F atom_upf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/cp2k-6.1/src/' atom_upf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/cp2k-6.1/src/' atom_upf.F90 /build/cp2k-6.1/src/atom_upf.F:355:0: pot%functional = line(2:il-1) @@ -3193,16 +3227,16 @@ Warning: 'm' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_grid_atom.F qs_grid_atom.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/cp2k-6.1/src/' qs_grid_atom.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/cp2k-6.1/src/' qs_grid_atom.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_types.F atom_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/cp2k-6.1/src/' atom_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/cp2k-6.1/src/' atom_types.F90 /build/cp2k-6.1/src/atom_types.F:2703:0: INTEGER :: i, ic, l, ncore, nel Warning: 'l' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_neighbor_list_types.F qs_neighbor_list_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/cp2k-6.1/src/' qs_neighbor_list_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/cp2k-6.1/src/' qs_neighbor_list_types.F90 /build/cp2k-6.1/src/qs_neighbor_list_types.F:331:0: iterator%nnode = nnode @@ -3229,11 +3263,11 @@ Warning: 'iatom' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dispersion_types.F qs_dispersion_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/cp2k-6.1/src/' qs_dispersion_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/cp2k-6.1/src/' qs_dispersion_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_int_arrays.F semi_empirical_int_arrays.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_arrays.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_arrays.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_par_utils.F semi_empirical_par_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_par_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_par_utils.F90 /build/cp2k-6.1/src/semi_empirical_par_utils.F:1015:0: IF (f1 >= f2) THEN @@ -3251,21 +3285,21 @@ note: 'n' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_mpole_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_mpole_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_parameters.F semi_empirical_parameters.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_parameters.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_parameters.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_utils.F semi_empirical_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dftb_utils.F qs_dftb_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_harmonics_atom.F qs_harmonics_atom.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/cp2k-6.1/src/' qs_harmonics_atom.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/cp2k-6.1/src/' qs_harmonics_atom.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/soft_basis_set.F soft_basis_set.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/cp2k-6.1/src/aobasis/' soft_basis_set.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/cp2k-6.1/src/aobasis/' soft_basis_set.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_os_rr.F ai_os_rr.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_os_rr.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_os_rr.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_overlap.F ai_overlap.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap.F90 /build/cp2k-6.1/src/aobasis/ai_overlap.F:1370:0: SUBROUTINE overlap_aaab(la1_max, la1_min, npgfa1, rpgfa1, zeta1, & @@ -3282,7 +3316,7 @@ Warning: 'overlap_abbb' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_onecenter.F ai_onecenter.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_onecenter.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_onecenter.F90 /build/cp2k-6.1/src/aobasis/ai_onecenter.F:840:0: SUBROUTINE sto_conf(gmat, rc, k, na, pa, nb, pb) @@ -3329,7 +3363,7 @@ Warning: 'num_conf' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_utils.F atom_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/cp2k-6.1/src/' atom_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/cp2k-6.1/src/' atom_utils.F90 /build/cp2k-6.1/src/atom_utils.F:990:0: FUNCTION prune_grid(fun, deps) RESULT(nc) @@ -3346,7 +3380,7 @@ Warning: 'spinpol' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_sgp.F atom_sgp.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/cp2k-6.1/src/' atom_sgp.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/cp2k-6.1/src/' atom_sgp.F90 /build/cp2k-6.1/src/atom_sgp.F:504:0: IF (nl_trans) THEN @@ -3378,21 +3412,21 @@ Warning: 'errcc' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_kind_types.F qs_kind_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/cp2k-6.1/src/' qs_kind_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/cp2k-6.1/src/' qs_kind_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/lgrid_types.F lgrid_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lgrid_types.F\"" -I'/build/cp2k-6.1/src/pw/' lgrid_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lgrid_types.F\"" -I'/build/cp2k-6.1/src/pw/' lgrid_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/gaussian_gridlevels.F gaussian_gridlevels.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gaussian_gridlevels.F\"" -I'/build/cp2k-6.1/src/' gaussian_gridlevels.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gaussian_gridlevels.F\"" -I'/build/cp2k-6.1/src/' gaussian_gridlevels.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/cube_utils.F cube_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/cp2k-6.1/src/pw/' cube_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/cp2k-6.1/src/pw/' cube_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw_env_types.F pw_env_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_types.F\"" -I'/build/cp2k-6.1/src/' pw_env_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_types.F\"" -I'/build/cp2k-6.1/src/' pw_env_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mixed_cdft_types.F mixed_cdft_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/cp2k-6.1/src/' mixed_cdft_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/cp2k-6.1/src/' mixed_cdft_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mixed_environment_types.F mixed_environment_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/cp2k-6.1/src/' mixed_environment_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/cp2k-6.1/src/' mixed_environment_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/pw_spline_utils.F pw_spline_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/cp2k-6.1/src/pw/' pw_spline_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/cp2k-6.1/src/pw/' pw_spline_utils.F90 /build/cp2k-6.1/src/pw/pw_spline_utils.F:2642:0: SUBROUTINE pw_spline_precond_retain(preconditioner) @@ -3404,30 +3438,30 @@ Warning: 'idirval' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_rsgrid.F input_cp2k_rsgrid.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_rsgrid.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_rsgrid.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_poisson.F input_cp2k_poisson.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_poisson.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_poisson.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ewald_environment_types.F ewald_environment_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/cp2k-6.1/src/' ewald_environment_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/cp2k-6.1/src/' ewald_environment_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw_poisson_read_input.F pw_poisson_read_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/cp2k-6.1/src/' pw_poisson_read_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/cp2k-6.1/src/' pw_poisson_read_input.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_realspace_grid_init.F cp_realspace_grid_init.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/cp2k-6.1/src/' cp_realspace_grid_init.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/cp2k-6.1/src/' cp_realspace_grid_init.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/dgs.F dgs.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/cp2k-6.1/src/pw/' dgs.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/cp2k-6.1/src/pw/' dgs.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/rs_methods.F rs_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/cp2k-6.1/src/pw/' rs_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/cp2k-6.1/src/pw/' rs_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/dielectric_methods.F dielectric_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/cp2k-6.1/src/pw/' dielectric_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/cp2k-6.1/src/pw/' dielectric_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/dirichlet_bc_methods.F dirichlet_bc_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/cp2k-6.1/src/pw/' dirichlet_bc_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/cp2k-6.1/src/pw/' dirichlet_bc_methods.F90 /build/cp2k-6.1/src/pw/dirichlet_bc_methods.F:1025:0: yub(j) = base_center(2)+h*COS(alpha_rotd(j)) Warning: 'h' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/ps_implicit_methods.F ps_implicit_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/cp2k-6.1/src/pw/' ps_implicit_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/cp2k-6.1/src/pw/' ps_implicit_methods.F90 /build/cp2k-6.1/src/pw/ps_implicit_methods.F:1204:0: CALL pw_scale(pw_in, 1.0_dp/(vol_scfac*tile_volume)) ! normalize tile_pw @@ -3444,25 +3478,25 @@ Warning: 'vol_scfac' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/ps_wavelet_fft3d.F ps_wavelet_fft3d.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_fft3d.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_fft3d.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/ps_wavelet_base.F ps_wavelet_base.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_base.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_base.F90 /build/cp2k-6.1/src/pw/ps_wavelet_base.F:2104:0: SUBROUTINE F_unfill_downcorn(md1, md3, lot, nfft, n3, zw, zf, scal, ehartreetmp) Warning: 'f_unfill_downcorn' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/ps_wavelet_util.F ps_wavelet_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_util.F90 /build/cp2k-6.1/src/pw/ps_wavelet_util.F:90:0: nd2, nd3, nlim, nwb, nwbl, nwbr, nxc, & Warning: 'nlim' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/lazy.F lazy.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/cp2k-6.1/src/pw/' lazy.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/cp2k-6.1/src/pw/' lazy.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/ps_wavelet_scaling_function.F ps_wavelet_scaling_function.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_scaling_function.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_scaling_function.F90 /build/cp2k-6.1/src/pw/ps_wavelet_scaling_function.F:90:0: SUBROUTINE wavelet_function(itype, nd, a, x) @@ -3479,24 +3513,24 @@ Warning: 'ftest' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_kernel.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_kernel.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/cp2k-6.1/src/pw/' ps_wavelet_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/pw_poisson_methods.F pw_poisson_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/cp2k-6.1/src/pw/' pw_poisson_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/cp2k-6.1/src/pw/' pw_poisson_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ewald_pw_types.F ewald_pw_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/cp2k-6.1/src/' ewald_pw_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/cp2k-6.1/src/' ewald_pw_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/exclusion_types.F exclusion_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/cp2k-6.1/src/' exclusion_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/cp2k-6.1/src/' exclusion_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/splines_types.F splines_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/cp2k-6.1/src/' splines_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/cp2k-6.1/src/' splines_types.F90 /build/cp2k-6.1/src/splines_types.F:206:0: SUBROUTINE spline_env_retain(spline_env) Warning: 'spline_env_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pair_potential_types.F pair_potential_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/cp2k-6.1/src/' pair_potential_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/cp2k-6.1/src/' pair_potential_types.F90 /build/cp2k-6.1/src/pair_potential_types.F:790:0: INTEGER :: i, loc_lb, loc_ub @@ -3504,33 +3538,33 @@ Warning: 'loc_ub' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/pair_potential_types.F:790:0: Warning: 'loc_lb' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/cp2k-6.1/src/' fist_neighbor_list_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/cp2k-6.1/src/' fist_neighbor_list_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/cp2k-6.1/src/' fist_nonbond_env_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/cp2k-6.1/src/' fist_nonbond_env_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_energy_types.F fist_energy_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/cp2k-6.1/src/' fist_energy_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/cp2k-6.1/src/' fist_energy_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_gaussian_types.F qmmm_gaussian_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/cp2k-6.1/src/' qmmm_gaussian_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/cp2k-6.1/src/' qmmm_gaussian_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/force_field_types.F force_field_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/cp2k-6.1/src/' force_field_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/cp2k-6.1/src/' force_field_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/minimax/minimax_exp_k53.F minimax_exp_k53.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/cp2k-6.1/src/minimax/' minimax_exp_k53.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/cp2k-6.1/src/minimax/' minimax_exp_k53.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/minimax/minimax_exp_k15.F minimax_exp_k15.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/cp2k-6.1/src/minimax/' minimax_exp_k15.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/cp2k-6.1/src/minimax/' minimax_exp_k15.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/minimax/minimax_exp.F minimax_exp.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/cp2k-6.1/src/minimax/' minimax_exp.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/cp2k-6.1/src/minimax/' minimax_exp.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_gaussian.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_gaussian.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/eri_mme/eri_mme_util.F eri_mme_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_lattice_summation.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_lattice_summation.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/eri_mme/eri_mme_error_control.F eri_mme_error_control.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_error_control.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_error_control.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/eri_mme/eri_mme_types.F eri_mme_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/eri_mme/eri_mme_integrate.F eri_mme_integrate.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_integrate.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_integrate.F90 /build/cp2k-6.1/src/eri_mme/eri_mme_integrate.F:298:0: S_G_2_2, S_G_2_3, S_G_3, S_G_no, & @@ -3605,7 +3639,7 @@ Warning: 's_g.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/eri_mme/eri_mme_test.F eri_mme_test.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_test.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/cp2k-6.1/src/eri_mme/' eri_mme_test.F90 /build/cp2k-6.1/src/eri_mme/eri_mme_test.F:70:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: I_diff, I_ref, I_test @@ -3615,55 +3649,55 @@ /build/cp2k-6.1/src/eri_mme/eri_mme_test.F:70:0: Warning: 'i_ref.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/eri_mme/eri_mme_test.F:70:0: Warning: 'i_ref.dim[3].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/cp2k-6.1/src/' cp_eri_mme_interface.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/cp2k-6.1/src/' cp_eri_mme_interface.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_types_low.F qmmm_types_low.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/cp2k-6.1/src/' qmmm_types_low.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/cp2k-6.1/src/' qmmm_types_low.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_efield_types.F fist_efield_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/cp2k-6.1/src/' fist_efield_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/cp2k-6.1/src/' fist_efield_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_environment_types.F fist_environment_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/cp2k-6.1/src/' fist_environment_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/cp2k-6.1/src/' fist_environment_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_o3c_types.F qs_o3c_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/cp2k-6.1/src/' qs_o3c_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/cp2k-6.1/src/' qs_o3c_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/lri_environment_types.F lri_environment_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/cp2k-6.1/src/' lri_environment_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/cp2k-6.1/src/' lri_environment_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/embed_types.F embed_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/cp2k-6.1/src/' embed_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/cp2k-6.1/src/' embed_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_energy_types.F qs_energy_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/cp2k-6.1/src/' qs_energy_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/cp2k-6.1/src/' qs_energy_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_wf_history_types.F qs_wf_history_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/cp2k-6.1/src/' qs_wf_history_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/cp2k-6.1/src/' qs_wf_history_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/wannier_states_types.F wannier_states_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/cp2k-6.1/src/' wannier_states_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/cp2k-6.1/src/' wannier_states_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ks_qmmm_types.F qs_ks_qmmm_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/cp2k-6.1/src/' qs_ks_qmmm_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/cp2k-6.1/src/' qs_ks_qmmm_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_rho_atom_types.F qs_rho_atom_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/cp2k-6.1/src/' qs_rho_atom_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/cp2k-6.1/src/' qs_rho_atom_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_libint_wrapper_types.F hfx_libint_wrapper_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_wrapper_types.F\"" -I'/build/cp2k-6.1/src/' hfx_libint_wrapper_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_wrapper_types.F\"" -I'/build/cp2k-6.1/src/' hfx_libint_wrapper_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_libint_wrapper.F hfx_libint_wrapper.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_wrapper.F\"" -I'/build/cp2k-6.1/src/' hfx_libint_wrapper.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_wrapper.F\"" -I'/build/cp2k-6.1/src/' hfx_libint_wrapper.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_helpers.F hfx_helpers.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/cp2k-6.1/src/' hfx_helpers.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/cp2k-6.1/src/' hfx_helpers.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/t_c_g0.F t_c_g0.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"t_c_g0.F\"" -I'/build/cp2k-6.1/src/' t_c_g0.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"t_c_g0.F\"" -I'/build/cp2k-6.1/src/' t_c_g0.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_types.F hfx_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/cp2k-6.1/src/' hfx_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/cp2k-6.1/src/' hfx_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_types.F mp2_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/cp2k-6.1/src/' mp2_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/cp2k-6.1/src/' mp2_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_force_types.F qs_force_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/cp2k-6.1/src/' qs_force_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/cp2k-6.1/src/' qs_force_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_rho0_types.F qs_rho0_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/cp2k-6.1/src/' qs_rho0_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/cp2k-6.1/src/' qs_rho0_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_local_rho_types.F qs_local_rho_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/cp2k-6.1/src/' qs_local_rho_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/cp2k-6.1/src/' qs_local_rho_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/task_list_types.F task_list_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/cp2k-6.1/src/' task_list_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/cp2k-6.1/src/' task_list_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/kg_environment_types.F kg_environment_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/cp2k-6.1/src/' kg_environment_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/cp2k-6.1/src/' kg_environment_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/preconditioner_types.F preconditioner_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/cp2k-6.1/src/' preconditioner_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/cp2k-6.1/src/' preconditioner_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_cfm_types.F cp_cfm_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/cp2k-6.1/src/fm/' cp_cfm_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/cp2k-6.1/src/fm/' cp_cfm_types.F90 /build/cp2k-6.1/src/fm/cp_cfm_types.F:845:0: SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) @@ -3704,9 +3738,9 @@ Warning: 'rmat.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/fm/cp_cfm_types.F:946:0: Warning: 'rmat.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/distribution_2d_types.F distribution_2d_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/cp2k-6.1/src/' distribution_2d_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/cp2k-6.1/src/' distribution_2d_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_basic_linalg.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_basic_linalg.F90 /build/cp2k-6.1/src/fm/cp_fm_basic_linalg.F:191:0: SUBROUTINE cp_fm_geadd(alpha, trans, matrix_a, beta, matrix_b) @@ -3738,19 +3772,19 @@ Warning: 'determinant' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/cp2k-6.1/src/' cp_dbcsr_operations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/cp2k-6.1/src/' cp_dbcsr_operations.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ot_types.F qs_ot_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/cp2k-6.1/src/' qs_ot_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/cp2k-6.1/src/' qs_ot_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_density_mixing_types.F qs_density_mixing_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/cp2k-6.1/src/' qs_density_mixing_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/cp2k-6.1/src/' qs_density_mixing_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_mom_types.F qs_mom_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/cp2k-6.1/src/' qs_mom_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/cp2k-6.1/src/' qs_mom_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/linesearch.F linesearch.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/cp2k-6.1/src/' linesearch.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/cp2k-6.1/src/' linesearch.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_types.F pao_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/cp2k-6.1/src/' pao_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/cp2k-6.1/src/' pao_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_input.F pao_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/cp2k-6.1/src/' pao_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/cp2k-6.1/src/' pao_input.F90 /build/cp2k-6.1/src/pao_input.F:231:31: s = "GAUSSIAN_PROCESS" @@ -3762,67 +3796,67 @@ 1 Warning: CHARACTER expression will be truncated in assignment (10/14) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_ls.F input_cp2k_ls.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_ls.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_ls.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_almo.F input_cp2k_almo.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_almo.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_almo.F90 /build/cp2k-6.1/src/input_cp2k_almo.F:669:0: CALL keyword_release(keyword) Warning: 'optimizer_type' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_field.F input_cp2k_field.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_field.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_field.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_mm.F input_cp2k_mm.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_mm.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_mm.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_colvar.F input_cp2k_colvar.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_colvar.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_colvar.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_subsys.F input_cp2k_subsys.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_subsys.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_subsys.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_motion_print.F input_cp2k_motion_print.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_motion_print.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_motion_print.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_transport.F input_cp2k_transport.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_transport.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_transport.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_distribution.F input_cp2k_distribution.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_distribution.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_distribution.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_kpoints.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_kpoints.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_input.F qs_fb_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/cp2k-6.1/src/' qs_fb_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/cp2k-6.1/src/' qs_fb_input.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_input_constants.F xc_input_constants.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/cp2k-6.1/src/xc/' xc_input_constants.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/cp2k-6.1/src/xc/' xc_input_constants.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_hfx.F input_cp2k_hfx.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_hfx.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_hfx.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_mp2.F input_cp2k_mp2.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_mp2.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_mp2.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_xc.F input_cp2k_xc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_xc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_xc.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_dft.F input_cp2k_dft.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_dft.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_dft.F90 /build/cp2k-6.1/src/input_cp2k_dft.F:6192:0: SUBROUTINE create_rigpw_section(section) Warning: 'create_rigpw_section' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/scf_control_types.F scf_control_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/cp2k-6.1/src/' scf_control_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/cp2k-6.1/src/' scf_control_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_diis_types.F qs_diis_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/cp2k-6.1/src/' qs_diis_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/cp2k-6.1/src/' qs_diis_types.F90 /build/cp2k-6.1/src/qs_diis_types.F:82:0: SUBROUTINE qs_diis_b_retain(diis_buffer) Warning: 'qs_diis_b_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/cp2k-6.1/src/' qs_block_davidson_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/cp2k-6.1/src/' qs_block_davidson_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_trial_fns_types.F qs_fb_trial_fns_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_trial_fns_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_trial_fns_types.F90 /build/cp2k-6.1/src/qs_fb_trial_fns_types.F:182:0: SUBROUTINE fb_trial_fns_init(trial_fns) Warning: 'fb_trial_fns_init' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_atomic_halo_types.F qs_fb_atomic_halo_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_atomic_halo_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_atomic_halo_types.F90 /build/cp2k-6.1/src/qs_fb_atomic_halo_types.F:138:0: SUBROUTINE fb_atomic_halo_retain(atomic_halo) @@ -3844,7 +3878,7 @@ Warning: 'fb_atomic_halo_list_write' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_env_types.F qs_fb_env_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_env_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_env_types.F90 /build/cp2k-6.1/src/qs_fb_env_types.F:99:0: SUBROUTINE fb_env_retain(fb_env) @@ -3861,83 +3895,83 @@ Warning: 'fb_env_init' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_fm_vect.F cp_fm_vect.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_vect.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_vect.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_vect.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_vect.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_types.F qs_scf_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/cp2k-6.1/src/' qs_scf_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/cp2k-6.1/src/' qs_scf_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_loc_types.F qs_loc_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/cp2k-6.1/src/' qs_loc_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/cp2k-6.1/src/' qs_loc_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/cp2k-6.1/src/fm/' cp_linked_list_fm.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/cp2k-6.1/src/fm/' cp_linked_list_fm.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_pool_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_pool_types.F90 /build/cp2k-6.1/src/fm/cp_fm_pool_types.F:276:0: SUBROUTINE fm_pools_copy(source_pools, target_pools) Warning: 'fm_pools_copy' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xas_env_types.F xas_env_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/cp2k-6.1/src/' xas_env_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/cp2k-6.1/src/' xas_env_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_charges_types.F qs_charges_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/cp2k-6.1/src/' qs_charges_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/cp2k-6.1/src/' qs_charges_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_subsys_types.F qs_subsys_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/cp2k-6.1/src/' qs_subsys_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/cp2k-6.1/src/' qs_subsys_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/domain_submatrix_types.F domain_submatrix_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/cp2k-6.1/src/' domain_submatrix_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/cp2k-6.1/src/' domain_submatrix_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/almo_scf_types.F almo_scf_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/cp2k-6.1/src/' almo_scf_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/cp2k-6.1/src/' almo_scf_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfxbase/hfx_compression_core_methods.F hfx_compression_core_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/cp2k-6.1/src/hfxbase/' hfx_compression_core_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/cp2k-6.1/src/hfxbase/' hfx_compression_core_methods.F90 /build/cp2k-6.1/src/hfxbase/hfx_compression_core_methods.F:65:0: SUBROUTINE ints2ints(Ndata, packed_data, full_data) Warning: 'ints2ints' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_compression_methods.F hfx_compression_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/cp2k-6.1/src/' hfx_compression_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/cp2k-6.1/src/' hfx_compression_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_store_int_types.F semi_empirical_store_int_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_store_int_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_store_int_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/rel_control_types.F rel_control_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/cp2k-6.1/src/' rel_control_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/cp2k-6.1/src/' rel_control_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_mo_types.F qs_mo_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/cp2k-6.1/src/' qs_mo_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/cp2k-6.1/src/' qs_mo_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_matrix_pools.F qs_matrix_pools.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/cp2k-6.1/src/' qs_matrix_pools.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/cp2k-6.1/src/' qs_matrix_pools.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/kpoint_types.F kpoint_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/cp2k-6.1/src/' kpoint_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/cp2k-6.1/src/' kpoint_types.F90 /build/cp2k-6.1/src/kpoint_types.F:417:0: SUBROUTINE set_kpoint_info(kpoint, kp_scheme, nkp_grid, kp_shift, symmetry, verbose, & Warning: 'set_kpoint_info' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mscfg_types.F mscfg_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/cp2k-6.1/src/' mscfg_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/cp2k-6.1/src/' mscfg_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/transport_env_types.F transport_env_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/cp2k-6.1/src/' transport_env_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/cp2k-6.1/src/' transport_env_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/global_types.F global_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/cp2k-6.1/src/' global_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/cp2k-6.1/src/' global_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/admm_types.F admm_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/cp2k-6.1/src/' admm_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/cp2k-6.1/src/' admm_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ewald_spline_util.F ewald_spline_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/cp2k-6.1/src/' ewald_spline_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/cp2k-6.1/src/' ewald_spline_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cell_methods.F cell_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/cp2k-6.1/src/' cell_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/cp2k-6.1/src/' cell_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_ddapc_methods.F cp_ddapc_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/cp2k-6.1/src/' cp_ddapc_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/cp2k-6.1/src/' cp_ddapc_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_ddapc_types.F cp_ddapc_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/cp2k-6.1/src/' cp_ddapc_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/cp2k-6.1/src/' cp_ddapc_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/et_coupling_types.F et_coupling_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/cp2k-6.1/src/' et_coupling_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/cp2k-6.1/src/' et_coupling_types.F90 /build/cp2k-6.1/src/et_coupling_types.F:75:0: SUBROUTINE get_et_coupling_type(et_coupling, et_mo_coeff, rest_mat) Warning: 'get_et_coupling_type' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/rt_propagation_types.F rt_propagation_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/cp2k-6.1/src/' rt_propagation_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/cp2k-6.1/src/' rt_propagation_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hartree_local_types.F hartree_local_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/cp2k-6.1/src/' hartree_local_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/cp2k-6.1/src/' hartree_local_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_types.F qs_linres_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/cp2k-6.1/src/' qs_linres_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/cp2k-6.1/src/' qs_linres_types.F90 /build/cp2k-6.1/src/qs_linres_types.F:1141:0: SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom) @@ -3954,44 +3988,44 @@ Warning: 'set_polar_env' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_period_efield_types.F qs_period_efield_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/cp2k-6.1/src/' qs_period_efield_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/cp2k-6.1/src/' qs_period_efield_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pexsi_interface.F pexsi_interface.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/cp2k-6.1/src/' pexsi_interface.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/cp2k-6.1/src/' pexsi_interface.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pexsi_types.F pexsi_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/cp2k-6.1/src/' pexsi_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/cp2k-6.1/src/' pexsi_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/sap_kind_types.F sap_kind_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/cp2k-6.1/src/' sap_kind_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/cp2k-6.1/src/' sap_kind_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/block_p_types.F block_p_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/cp2k-6.1/src/' block_p_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/cp2k-6.1/src/' block_p_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_oce_types.F qs_oce_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/cp2k-6.1/src/' qs_oce_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/cp2k-6.1/src/' qs_oce_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_active_space_types.F qs_active_space_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/cp2k-6.1/src/' qs_active_space_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/cp2k-6.1/src/' qs_active_space_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/admm_dm_types.F admm_dm_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/cp2k-6.1/src/' admm_dm_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/cp2k-6.1/src/' admm_dm_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ks_types.F qs_ks_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/cp2k-6.1/src/' qs_ks_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/cp2k-6.1/src/' qs_ks_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_environment_types.F qs_environment_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/cp2k-6.1/src/' qs_environment_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/cp2k-6.1/src/' qs_environment_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_types.F qmmm_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/cp2k-6.1/src/' qmmm_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/cp2k-6.1/src/' qmmm_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmmx_types.F qmmmx_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/cp2k-6.1/src/' qmmmx_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/cp2k-6.1/src/' qmmmx_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/eip_environment_types.F eip_environment_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/cp2k-6.1/src/' eip_environment_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/cp2k-6.1/src/' eip_environment_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/force_env_types.F force_env_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/cp2k-6.1/src/' force_env_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/cp2k-6.1/src/' force_env_types.F90 /build/cp2k-6.1/src/force_env_types.F:679:0: i_force_eval(1) = main_force_eval Warning: 'main_force_eval' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/farming_types.F farming_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/cp2k-6.1/src/' farming_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/cp2k-6.1/src/' farming_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_int3_utils.F semi_empirical_int3_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int3_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int3_utils.F90 /build/cp2k-6.1/src/semi_empirical_int3_utils.F:95:0: add = (pij+pkl)**2 @@ -3999,20 +4033,20 @@ Warning: 'pkl' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/semi_empirical_int3_utils.F:95:0: Warning: 'pij' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_expns3_methods.F semi_empirical_expns3_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_expns3_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_expns3_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_ff_fist.F qmmm_ff_fist.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/cp2k-6.1/src/' qmmm_ff_fist.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/cp2k-6.1/src/' qmmm_ff_fist.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/particle_methods.F particle_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/cp2k-6.1/src/' particle_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/cp2k-6.1/src/' particle_methods.F90 /build/cp2k-6.1/src/particle_methods.F:140:0: IF (SIZE(first_sgf) > nparticle) first_sgf(nparticle+1) = isgf+1 Warning: 'isgf' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/distribution_methods.F distribution_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/cp2k-6.1/src/' distribution_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/cp2k-6.1/src/' distribution_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_potentials.F pao_potentials.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/cp2k-6.1/src/' pao_potentials.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/cp2k-6.1/src/' pao_potentials.F90 /build/cp2k-6.1/src/pao_potentials.F:117:0: REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab @@ -4040,9 +4074,9 @@ Warning: 'new_block_d.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/pao_potentials.F:117:0: Warning: 'new_block_d.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_param_exp.F pao_param_exp.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/cp2k-6.1/src/' pao_param_exp.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/cp2k-6.1/src/' pao_param_exp.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_param_fock.F pao_param_fock.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/cp2k-6.1/src/' pao_param_fock.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/cp2k-6.1/src/' pao_param_fock.F90 /build/cp2k-6.1/src/pao_param_fock.F:55:0: REAL(dp) :: alpha, beta, denom, diff @@ -4050,11 +4084,11 @@ Warning: 'beta' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/pao_param_fock.F:55:0: Warning: 'alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/arnoldi/arnoldi_types.F arnoldi_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/cp2k-6.1/src/arnoldi/' arnoldi_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/cp2k-6.1/src/arnoldi/' arnoldi_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/arnoldi/arnoldi_geev.F arnoldi_geev.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/cp2k-6.1/src/arnoldi/' arnoldi_geev.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/cp2k-6.1/src/arnoldi/' arnoldi_geev.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dbcsrx/dbcsr_vector.F dbcsr_vector.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/cp2k-6.1/src/dbcsrx/' dbcsr_vector.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/cp2k-6.1/src/dbcsrx/' dbcsr_vector.F90 /build/cp2k-6.1/src/dbcsrx/dbcsr_vector.F:506:0: SUBROUTINE dbcsr_matrixT_vector_mult_${nametype}$(matrix, vec_in, vec_out, alpha, beta, work_row, work_col, skip_diag) @@ -4076,9 +4110,9 @@ Warning: 'dbcsr_matrixt_vector_mult_z' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/arnoldi/arnoldi_methods.F arnoldi_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/cp2k-6.1/src/arnoldi/' arnoldi_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/cp2k-6.1/src/arnoldi/' arnoldi_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/arnoldi/arnoldi_data_methods.F arnoldi_data_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/cp2k-6.1/src/arnoldi/' arnoldi_data_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/cp2k-6.1/src/arnoldi/' arnoldi_data_methods.F90 /build/cp2k-6.1/src/arnoldi/arnoldi_data_methods.F:240:0: SUBROUTINE set_eval_selection(ar_data, itype) @@ -4100,7 +4134,7 @@ note: 'eval_out' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/arnoldi/arnoldi_api.F arnoldi_api.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/cp2k-6.1/src/arnoldi/' arnoldi_api.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/cp2k-6.1/src/arnoldi/' arnoldi_api.F90 /build/cp2k-6.1/src/arnoldi/arnoldi_api.F:500:0: IF (SQRT(rsnew) < control%threshold) control%converged = .TRUE. @@ -4112,37 +4146,37 @@ note: 'rsnew' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/iterate_matrix.F iterate_matrix.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/cp2k-6.1/src/' iterate_matrix.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/cp2k-6.1/src/' iterate_matrix.F90 /build/cp2k-6.1/src/iterate_matrix.F:550:0: SUBROUTINE matrix_exponential(matrix_exp, matrix, omega, alpha, threshold) Warning: 'matrix_exponential' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_param_gth.F pao_param_gth.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/cp2k-6.1/src/' pao_param_gth.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/cp2k-6.1/src/' pao_param_gth.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/cp2k-6.1/src/' pao_linpot_rotinv.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/cp2k-6.1/src/' pao_linpot_rotinv.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_linpot_full.F pao_linpot_full.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/cp2k-6.1/src/' pao_linpot_full.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/cp2k-6.1/src/' pao_linpot_full.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_param_linpot.F pao_param_linpot.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/cp2k-6.1/src/' pao_param_linpot.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/cp2k-6.1/src/' pao_param_linpot.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_param.F pao_param.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/cp2k-6.1/src/' pao_param.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/cp2k-6.1/src/' pao_param.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_modify_pab_block.F qs_modify_pab_block.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_modify_pab_block.F\"" -I'/build/cp2k-6.1/src/' qs_modify_pab_block.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_modify_pab_block.F\"" -I'/build/cp2k-6.1/src/' qs_modify_pab_block.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_spline_utils.F cp_spline_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_spline_utils.F\"" -I'/build/cp2k-6.1/src/' cp_spline_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_spline_utils.F\"" -I'/build/cp2k-6.1/src/' cp_spline_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/rs_pw_interface.F rs_pw_interface.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rs_pw_interface.F\"" -I'/build/cp2k-6.1/src/' rs_pw_interface.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rs_pw_interface.F\"" -I'/build/cp2k-6.1/src/' rs_pw_interface.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/task_list_methods.F task_list_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/cp2k-6.1/src/' task_list_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/cp2k-6.1/src/' task_list_methods.F90 /build/cp2k-6.1/src/task_list_methods.F:965:0: ilocal, k, maxdest, Ncpu, Nflux Warning: 'ilocal' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/d3_poly.F d3_poly.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"d3_poly.F\"" -I'/build/cp2k-6.1/src/' d3_poly.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"d3_poly.F\"" -I'/build/cp2k-6.1/src/' d3_poly.F90 /build/cp2k-6.1/src/d3_poly.F:233:0: PURE FUNCTION mono_index1(i) RESULT(res) @@ -4244,9 +4278,9 @@ Warning: 'poly_derive3' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/gauss_colloc.F gauss_colloc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gauss_colloc.F\"" -I'/build/cp2k-6.1/src/' gauss_colloc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gauss_colloc.F\"" -I'/build/cp2k-6.1/src/' gauss_colloc.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_collocate_density.F qs_collocate_density.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/cp2k-6.1/src/' qs_collocate_density.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/cp2k-6.1/src/' qs_collocate_density.F90 /build/cp2k-6.1/src/qs_collocate_density.F:3351:0: SUBROUTINE collocate_general_opt() @@ -4263,15 +4297,15 @@ Warning: 'distributed_rs_grids' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_overlap_debug.F ai_overlap_debug.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap_debug.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap_debug.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_oneelectron.F ai_oneelectron.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_oneelectron.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_oneelectron.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_overlap_ppl.F ai_overlap_ppl.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap_ppl.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap_ppl.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/virial_methods.F virial_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/cp2k-6.1/src/' virial_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/cp2k-6.1/src/' virial_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/core_ppl.F core_ppl.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/cp2k-6.1/src/' core_ppl.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/cp2k-6.1/src/' core_ppl.F90 /build/cp2k-6.1/src/core_ppl.F:543:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: dva, dvas @@ -4297,23 +4331,23 @@ /build/cp2k-6.1/src/core_ppl.F:118:0: Warning: 'pab.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/core_ppl.F:118:0: Warning: 'pab.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/lri_compression.F lri_compression.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/cp2k-6.1/src/' lri_compression.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/cp2k-6.1/src/' lri_compression.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/shg_int/construct_shg.F construct_shg.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/cp2k-6.1/src/shg_int/' construct_shg.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/cp2k-6.1/src/shg_int/' construct_shg.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/shg_int/s_contract_shg.F s_contract_shg.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/cp2k-6.1/src/shg_int/' s_contract_shg.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/cp2k-6.1/src/shg_int/' s_contract_shg.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/shg_int/constants_operator.F constants_operator.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/cp2k-6.1/src/shg_int/' constants_operator.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/cp2k-6.1/src/shg_int/' constants_operator.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/cp2k-6.1/src/shg_int/' generic_shg_integrals.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/cp2k-6.1/src/shg_int/' generic_shg_integrals.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_operators_r12.F ai_operators_r12.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_operators_r12.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_operators_r12.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_overlap3_debug.F ai_overlap3_debug.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap3_debug.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap3_debug.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_overlap_aabb.F ai_overlap_aabb.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap_aabb.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap_aabb.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_overlap3.F ai_overlap3.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap3.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_overlap3.F90 /build/cp2k-6.1/src/aobasis/ai_overlap3.F:130:0: REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc @@ -4327,7 +4361,7 @@ /build/cp2k-6.1/src/aobasis/ai_overlap3.F:130:0: Warning: 'sda.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/aobasis/ai_overlap3.F:130:0: Warning: 'sda.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/debug_os_integrals.F debug_os_integrals.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/cp2k-6.1/src/' debug_os_integrals.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/cp2k-6.1/src/' debug_os_integrals.F90 /build/cp2k-6.1/src/debug_os_integrals.F:44:0: SUBROUTINE overlap_ab_test_simple() @@ -4344,17 +4378,17 @@ Warning: 'overlap_aabb_test_simple' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_derivatives.F ai_derivatives.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_derivatives.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_derivatives.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_operator_ra2m.F ai_operator_ra2m.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_operator_ra2m.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_operator_ra2m.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_contraction_sphi.F ai_contraction_sphi.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_contraction_sphi.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_contraction_sphi.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/generic_os_integrals.F generic_os_integrals.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/cp2k-6.1/src/' generic_os_integrals.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/cp2k-6.1/src/' generic_os_integrals.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/lri_integrals.F lri_integrals.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/cp2k-6.1/src/' lri_integrals.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/cp2k-6.1/src/' lri_integrals.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/lri_environment_methods.F lri_environment_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/cp2k-6.1/src/' lri_environment_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/cp2k-6.1/src/' lri_environment_methods.F90 /build/cp2k-6.1/src/lri_environment_methods.F:485:0: SUBROUTINE calculate_lri_overlap_aabb(lri_env, qs_env) @@ -4366,16 +4400,16 @@ Warning: 'nspin' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_integral_utils.F qs_integral_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/cp2k-6.1/src/' qs_integral_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/cp2k-6.1/src/' qs_integral_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_dbcsr_cp2k_link.F cp_dbcsr_cp2k_link.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/cp2k-6.1/src/' cp_dbcsr_cp2k_link.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/cp2k-6.1/src/' cp_dbcsr_cp2k_link.F90 /build/cp2k-6.1/src/cp_dbcsr_cp2k_link.F:476:0: IF (jatom /= last_jatom) THEN Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_oce_methods.F qs_oce_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/cp2k-6.1/src/' qs_oce_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/cp2k-6.1/src/' qs_oce_methods.F90 /build/cp2k-6.1/src/qs_oce_methods.F:541:0: clist%sgf_soft_only = sgf_soft_only @@ -4387,11 +4421,11 @@ Warning: 'nsgf_cnt' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/cp2k-6.1/src/' qs_rho_atom_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/cp2k-6.1/src/' qs_rho_atom_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_contraction.F ai_contraction.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_contraction.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_contraction.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_overlap.F qs_overlap.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/cp2k-6.1/src/' qs_overlap.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/cp2k-6.1/src/' qs_overlap.F90 /build/cp2k-6.1/src/qs_overlap.F:764:0: IF (jatom /= last_jatom) THEN @@ -4423,7 +4457,7 @@ Warning: 'dokp' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/cp2k-6.1/src/fm/' cp_cfm_basic_linalg.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/cp2k-6.1/src/fm/' cp_cfm_basic_linalg.F90 /build/cp2k-6.1/src/fm/cp_cfm_basic_linalg.F:105:0: SUBROUTINE cp_cfm_schur_product_cc(matrix_a, matrix_b, matrix_c) @@ -4440,19 +4474,19 @@ Warning: 'lwork' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/cp2k-6.1/src/fm/' cp_cfm_diag.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/cp2k-6.1/src/fm/' cp_cfm_diag.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_cholesky.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_cholesky.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_diag_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_diag_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_fm_elpa.F cp_fm_elpa.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_elpa.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_elpa.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fm/cp_fm_diag.F cp_fm_diag.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_diag.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/cp2k-6.1/src/fm/' cp_fm_diag.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/cp2k-6.1/src/' cp_dbcsr_diag.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/cp2k-6.1/src/' cp_dbcsr_diag.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_o3c_methods.F qs_o3c_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/cp2k-6.1/src/' qs_o3c_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/cp2k-6.1/src/' qs_o3c_methods.F90 /build/cp2k-6.1/src/qs_o3c_methods.F:64:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: iabdc, iadbc, idabc, sabdc, sdabc @@ -4473,16 +4507,16 @@ /build/cp2k-6.1/src/qs_o3c_methods.F:64:0: Warning: 'iabdc.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/qs_o3c_methods.F:64:0: Warning: 'iabdc.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ri_environment_methods.F ri_environment_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/cp2k-6.1/src/' ri_environment_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/cp2k-6.1/src/' ri_environment_methods.F90 /build/cp2k-6.1/src/ri_environment_methods.F:632:0: IF (symm .AND. (iatom /= jatom)) THEN Warning: 'symm' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_rho_methods.F qs_rho_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/cp2k-6.1/src/' qs_rho_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/cp2k-6.1/src/' qs_rho_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/cp2k-6.1/src/pw/' realspace_grid_cube.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/cp2k-6.1/src/pw/' realspace_grid_cube.F90 /build/cp2k-6.1/src/pw/realspace_grid_cube.F:780:0: IF (MODULO(counter, num_entries_line) == 0 .OR. k == last_z) & @@ -4494,31 +4528,31 @@ note: 'last_z' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/cp2k-6.1/src/' cp_realspace_grid_cube.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/cp2k-6.1/src/' cp_realspace_grid_cube.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_gemm_interface.F cp_gemm_interface.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_gemm_interface.F\"" -I'/build/cp2k-6.1/src/' cp_gemm_interface.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_gemm_interface.F\"" -I'/build/cp2k-6.1/src/' cp_gemm_interface.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_methods.F qs_scf_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/cp2k-6.1/src/' qs_scf_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/cp2k-6.1/src/' qs_scf_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fermi_utils.F fermi_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/cp2k-6.1/src/' fermi_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/cp2k-6.1/src/' fermi_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_mo_occupation.F qs_mo_occupation.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/cp2k-6.1/src/' qs_mo_occupation.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/cp2k-6.1/src/' qs_mo_occupation.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/admm_utils.F admm_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/cp2k-6.1/src/' admm_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/cp2k-6.1/src/' admm_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_mo_methods.F qs_mo_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/cp2k-6.1/src/' qs_mo_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/cp2k-6.1/src/' qs_mo_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_diis.F qs_diis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/cp2k-6.1/src/' qs_diis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/cp2k-6.1/src/' qs_diis.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/preconditioner_makes.F preconditioner_makes.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/cp2k-6.1/src/' preconditioner_makes.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/cp2k-6.1/src/' preconditioner_makes.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/preconditioner_solvers.F preconditioner_solvers.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/cp2k-6.1/src/' preconditioner_solvers.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/cp2k-6.1/src/' preconditioner_solvers.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/preconditioner_apply.F preconditioner_apply.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/cp2k-6.1/src/' preconditioner_apply.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/cp2k-6.1/src/' preconditioner_apply.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/preconditioner.F preconditioner.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/cp2k-6.1/src/' preconditioner.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/cp2k-6.1/src/' preconditioner.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/cp2k-6.1/src/' qs_scf_block_davidson.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/cp2k-6.1/src/' qs_scf_block_davidson.F90 /build/cp2k-6.1/src/qs_scf_block_davidson.F:885:0: i_last = inotconv_set(j, 2) @@ -4550,61 +4584,61 @@ Warning: 'nset_not_conv' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/cp2k-6.1/src/' cp_dbcsr_cholesky.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/cp2k-6.1/src/' cp_dbcsr_cholesky.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ot.F qs_ot.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/cp2k-6.1/src/' qs_ot.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/cp2k-6.1/src/' qs_ot.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ot_minimizer.F qs_ot_minimizer.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/cp2k-6.1/src/' qs_ot_minimizer.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/cp2k-6.1/src/' qs_ot_minimizer.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/cp2k-6.1/src/' qs_ot_eigensolver.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/cp2k-6.1/src/' qs_ot_eigensolver.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_rho_cflags_types.F xc_rho_cflags_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/cp2k-6.1/src/xc/' xc_rho_cflags_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/cp2k-6.1/src/xc/' xc_rho_cflags_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/cp2k-6.1/src/xc/' xc_rho_set_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/cp2k-6.1/src/xc/' xc_rho_set_types.F90 /build/cp2k-6.1/src/xc/xc_rho_set_types.F:164:0: SUBROUTINE xc_rho_set_retain(rho_set) Warning: 'xc_rho_set_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_derivative_desc.F xc_derivative_desc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/cp2k-6.1/src/xc/' xc_derivative_desc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/cp2k-6.1/src/xc/' xc_derivative_desc.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_derivative_types.F xc_derivative_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/cp2k-6.1/src/xc/' xc_derivative_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/cp2k-6.1/src/xc/' xc_derivative_types.F90 /build/cp2k-6.1/src/xc/xc_derivative_types.F:93:0: SUBROUTINE xc_derivative_retain(deriv) Warning: 'xc_derivative_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/cp_linked_list_xc_deriv.F cp_linked_list_xc_deriv.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/cp2k-6.1/src/xc/' cp_linked_list_xc_deriv.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/cp2k-6.1/src/xc/' cp_linked_list_xc_deriv.F90 /build/cp2k-6.1/src/xc/cp_linked_list_xc_deriv.F:47:0: $:inst(nametype1, type1, type1in, type1out, eq, arrayeq, type1arrayEl, arrayEl, private_routines) Warning: 'cp_sll_deriv_less_q' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_derivative_set_types.F xc_derivative_set_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/cp2k-6.1/src/xc/' xc_derivative_set_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/cp2k-6.1/src/xc/' xc_derivative_set_types.F90 /build/cp2k-6.1/src/xc/xc_derivative_set_types.F:193:0: SUBROUTINE xc_dset_retain(deriv_set) Warning: 'xc_dset_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/cp2k-6.1/src/' qs_kpp1_env_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/cp2k-6.1/src/' qs_kpp1_env_types.F90 /build/cp2k-6.1/src/qs_kpp1_env_types.F:146:0: SUBROUTINE kpp1_retain(kpp1_env) Warning: 'kpp1_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_p_env_types.F qs_p_env_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/cp2k-6.1/src/' qs_p_env_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/cp2k-6.1/src/' qs_p_env_types.F90 /build/cp2k-6.1/src/qs_p_env_types.F:112:0: SUBROUTINE p_env_retain(p_env) Warning: 'p_env_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_integrate_potential_low.F qs_integrate_potential_low.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_low.F\"" -I'/build/cp2k-6.1/src/' qs_integrate_potential_low.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_low.F\"" -I'/build/cp2k-6.1/src/' qs_integrate_potential_low.F90 /build/cp2k-6.1/src/qs_integrate_potential_low.F:489:0: SUBROUTINE integrate_general_opt() @@ -4616,7 +4650,7 @@ Warning: 'integrate_general' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_integrate_potential_product.F qs_integrate_potential_product.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/cp2k-6.1/src/' qs_integrate_potential_product.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/cp2k-6.1/src/' qs_integrate_potential_product.F90 /build/cp2k-6.1/src/qs_integrate_potential_product.F:154:0: offs_dv, sgfa, sgfb @@ -4635,13 +4669,13 @@ Warning: 'atom_a' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/cp2k-6.1/src/' qs_integrate_potential_single.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/cp2k-6.1/src/' qs_integrate_potential_single.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_integrate_potential.F qs_integrate_potential.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/cp2k-6.1/src/' qs_integrate_potential.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/cp2k-6.1/src/' qs_integrate_potential.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_rho0_ggrid.F qs_rho0_ggrid.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/cp2k-6.1/src/' qs_rho0_ggrid.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/cp2k-6.1/src/' qs_rho0_ggrid.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_rho0_methods.F qs_rho0_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/cp2k-6.1/src/' qs_rho0_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/cp2k-6.1/src/' qs_rho0_methods.F90 /build/cp2k-6.1/src/qs_rho0_methods.F:203:0: REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as @@ -4649,13 +4683,13 @@ Warning: 'cpc_as.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/qs_rho0_methods.F:203:0: Warning: 'cpc_ah.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_gapw_densities.F qs_gapw_densities.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/cp2k-6.1/src/' qs_gapw_densities.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/cp2k-6.1/src/' qs_gapw_densities.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/admm_dm_methods.F admm_dm_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/cp2k-6.1/src/' admm_dm_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/cp2k-6.1/src/' admm_dm_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_tpss.F xc_tpss.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/cp2k-6.1/src/xc/' xc_tpss.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/cp2k-6.1/src/xc/' xc_tpss.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xlda_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xlda_hole_t_c_lr.F90 /build/cp2k-6.1/src/xc/xc_xlda_hole_t_c_lr.F:253:0: t82, t86, t9, t91, t95 @@ -4705,7 +4739,7 @@ Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_hcth.F xc_hcth.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/cp2k-6.1/src/xc/' xc_hcth.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/cp2k-6.1/src/xc/' xc_hcth.F90 /build/cp2k-6.1/src/xc/xc_hcth.F:378:0: gxss = cxss(0)+(cxss(1)+(cxss(2)+(cxss(3)+cxss(4)*u)*u)*u)*u @@ -4857,7 +4891,7 @@ note: 'ccab[0]' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/cp2k-6.1/src/xc/' xc_lyp_adiabatic.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/cp2k-6.1/src/xc/' xc_lyp_adiabatic.F90 /build/cp2k-6.1/src/xc/xc_lyp_adiabatic.F:631:0: t300-0.1111111111e0_dp*t115*t188) @@ -5168,11 +5202,11 @@ Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/xc/xc_lyp_adiabatic.F:469:0: Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_libxc_wrap.F xc_libxc_wrap.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/cp2k-6.1/src/xc/' xc_libxc_wrap.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/cp2k-6.1/src/xc/' xc_libxc_wrap.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_libxc.F xc_libxc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/cp2k-6.1/src/xc/' xc_libxc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/cp2k-6.1/src/xc/' xc_libxc.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbecke_roussel.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbecke_roussel.F90 /build/cp2k-6.1/src/xc/xc_xbecke_roussel.F:2326:0: t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & @@ -7025,14 +7059,14 @@ /build/cp2k-6.1/src/xc/xc_xbecke_roussel.F:603:0: Warning: 't101' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/xc/xc_xbecke_roussel.F:603:0: Warning: 't100' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/cp2k-6.1/src/xc/' xc_functionals_utilities.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/cp2k-6.1/src/xc/' xc_functionals_utilities.F90 /build/cp2k-6.1/src/xc/xc_functionals_utilities.F:66:0: SUBROUTINE setup_calculation(order, m, calc, tag) Warning: 'setup_calculation' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_perdew_zunger.F xc_perdew_zunger.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/cp2k-6.1/src/xc/' xc_perdew_zunger.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/cp2k-6.1/src/xc/' xc_perdew_zunger.F90 /build/cp2k-6.1/src/xc/xc_perdew_zunger.F:716:0: +trz*r(1)*z(0, 2)+tzz*z(0, 2)*z(1, 0)+tz*z(1, 2) @@ -7115,11 +7149,11 @@ note: 'trrr' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_perdew86.F xc_perdew86.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/cp2k-6.1/src/xc/' xc_perdew86.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/cp2k-6.1/src/xc/' xc_perdew86.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_cs1.F xc_cs1.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/cp2k-6.1/src/xc/' xc_cs1.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/cp2k-6.1/src/xc/' xc_cs1.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbecke88_long_range.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbecke88_long_range.F90 /build/cp2k-6.1/src/xc/xc_xbecke88_long_range.F:1070:0: t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 @@ -10088,9 +10122,9 @@ note: 't1' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_xbecke88.F xc_xbecke88.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbecke88.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbecke88.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xpbe_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xpbe_hole_t_c_lr.F90 /build/cp2k-6.1/src/xc/xc_xpbe_hole_t_c_lr.F:859:0: t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & @@ -10658,13 +10692,13 @@ Warning: 't103' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_optx.F xc_optx.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/cp2k-6.1/src/xc/' xc_optx.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/cp2k-6.1/src/xc/' xc_optx.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbr_pbe_lda_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbr_pbe_lda_hole_t_c_lr.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_lyp.F xc_lyp.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/cp2k-6.1/src/xc/' xc_lyp.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/cp2k-6.1/src/xc/' xc_lyp.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbecke88_lr_adiabatic.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbecke88_lr_adiabatic.F90 /build/cp2k-6.1/src/xc/xc_xbecke88_lr_adiabatic.F:4626:0: +0.3200000000e2_dp*t1055*t3674 @@ -19811,7 +19845,7 @@ note: 't10' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_xwpbe.F xc_xwpbe.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xwpbe.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xwpbe.F90 /build/cp2k-6.1/src/xc/xc_xwpbe.F:378:0: t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & @@ -27548,11 +27582,11 @@ Warning: 't1' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_ke_gga.F xc_ke_gga.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/cp2k-6.1/src/xc/' xc_ke_gga.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/cp2k-6.1/src/xc/' xc_ke_gga.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_xalpha.F xc_xalpha.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xalpha.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xalpha.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_xbeef.F xc_xbeef.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbeef.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/cp2k-6.1/src/xc/' xc_xbeef.F90 /build/cp2k-6.1/src/xc/xc_xbeef.F:493:0: e_rho_spin(ii) = e_rho_spin(ii)+(SUM(e_leg*a)*e_ueg_drho+SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx @@ -27573,7 +27607,7 @@ /build/cp2k-6.1/src/xc/xc_xbeef.F:229:0: Warning: 'ds_rho' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/xc/xc_xbeef.F:229:0: Warning: 'ds_ndrho' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_pbe.F xc_pbe.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/cp2k-6.1/src/xc/' xc_pbe.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/cp2k-6.1/src/xc/' xc_pbe.F90 /build/cp2k-6.1/src/xc/xc_pbe.F:1929:0: t477 = 0.1e1_dp/t475*mu @@ -27635,9 +27669,9 @@ note: 'beta' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_b97.F xc_b97.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/cp2k-6.1/src/xc/' xc_b97.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/cp2k-6.1/src/xc/' xc_b97.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_vwn.F xc_vwn.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/cp2k-6.1/src/xc/' xc_vwn.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/cp2k-6.1/src/xc/' xc_vwn.F90 /build/cp2k-6.1/src/xc/xc_vwn.F:1272:0: t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p @@ -31154,11 +31188,11 @@ note: 't101' was declared here /build/cp2k-6.1/src/xc/xc_vwn.F:662:0: Warning: 't10' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_pade.F xc_pade.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/cp2k-6.1/src/xc/' xc_pade.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/cp2k-6.1/src/xc/' xc_pade.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/cp2k-6.1/src/xc/' xc_thomas_fermi.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/cp2k-6.1/src/xc/' xc_thomas_fermi.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_perdew_wang.F xc_perdew_wang.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/cp2k-6.1/src/xc/' xc_perdew_wang.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/cp2k-6.1/src/xc/' xc_perdew_wang.F90 /build/cp2k-6.1/src/xc/xc_perdew_wang.F:813:0: +trz*r(1)*z(0, 2)+tzz*z(0, 2)*z(1, 0)+tz*z(1, 2) @@ -31241,22 +31275,22 @@ note: 'trrr' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_exchange_gga.F xc_exchange_gga.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/cp2k-6.1/src/xc/' xc_exchange_gga.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/cp2k-6.1/src/xc/' xc_exchange_gga.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_tfw.F xc_tfw.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/cp2k-6.1/src/xc/' xc_tfw.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/cp2k-6.1/src/xc/' xc_tfw.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_derivatives.F xc_derivatives.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/cp2k-6.1/src/xc/' xc_derivatives.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/cp2k-6.1/src/xc/' xc_derivatives.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc.F xc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/cp2k-6.1/src/xc/' xc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/cp2k-6.1/src/xc/' xc.F90 /build/cp2k-6.1/src/xc/xc.F:1561:0: IF (dealloc_pw_to_deriv) THEN Warning: 'dealloc_pw_to_deriv' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc/xc_atom.F xc_atom.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/cp2k-6.1/src/xc/' xc_atom.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/cp2k-6.1/src/xc/' xc_atom.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_vxc_atom.F qs_vxc_atom.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/cp2k-6.1/src/' qs_vxc_atom.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/cp2k-6.1/src/' qs_vxc_atom.F90 /build/cp2k-6.1/src/qs_vxc_atom.F:305:0: ir, rho_nlcc(:, 1), rho_h, rho_s, rho_nlcc(:, 2), drho_h, drho_s) @@ -31270,13 +31304,13 @@ /build/cp2k-6.1/src/qs_vxc_atom.F:99:0: Warning: 'rho_nlcc.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/qs_vxc_atom.F:99:0: Warning: 'rho_nlcc.dim[0].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/subcell_types.F subcell_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/cp2k-6.1/src/' subcell_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/cp2k-6.1/src/' subcell_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_neighbor_lists.F fist_neighbor_lists.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/cp2k-6.1/src/' fist_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/cp2k-6.1/src/' fist_neighbor_lists.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/cp2k-6.1/src/' fist_neighbor_list_control.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/cp2k-6.1/src/' fist_neighbor_list_control.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ewalds_multipole.F ewalds_multipole.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/cp2k-6.1/src/' ewalds_multipole.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/cp2k-6.1/src/' ewalds_multipole.F90 /build/cp2k-6.1/src/ewalds_multipole.F:606:0: $: ewalds_multipole_sr_macro(mode="SCREENED_COULOMB_ERF", store_energy=True, store_forces=True) @@ -31319,7 +31353,7 @@ note: 'ch_i' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_utils.F90 /build/cp2k-6.1/src/semi_empirical_int_utils.F:1180:0: add = (pij+pkl)**2 @@ -31468,9 +31502,9 @@ Warning: 'sqb' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_num.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_num.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_ana.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_ana.F90 /build/cp2k-6.1/src/semi_empirical_int_ana.F:524:0: dscale = dscale+dzz*fnj1(ig)*EXP(-ax)-dax*zz*fnj1(ig)*EXP(-ax) @@ -31489,11 +31523,11 @@ /build/cp2k-6.1/src/semi_empirical_int_ana.F:105:0: Warning: 'drij[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/semi_empirical_int_ana.F:105:0: Warning: 'drij[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_int_gks.F semi_empirical_int_gks.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_gks.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_gks.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_integrals.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_integrals.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/cp2k-6.1/src/' se_fock_matrix_integrals.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/cp2k-6.1/src/' se_fock_matrix_integrals.F90 /build/cp2k-6.1/src/se_fock_matrix_integrals.F:1132:0: $: ewalds_multipole_sr_macro(mode="PURE_COULOMB") @@ -31506,20 +31540,20 @@ Warning: 'tij' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/cp2k-6.1/src/' se_fock_matrix_coulomb.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/cp2k-6.1/src/' se_fock_matrix_coulomb.F90 /build/cp2k-6.1/src/se_fock_matrix_coulomb.F:682:0: ALLOCATE (forces_g(3, forces_g_size)) Warning: 'forces_g_size' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/cp2k-6.1/src/' se_fock_matrix_dbg.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/cp2k-6.1/src/' se_fock_matrix_dbg.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/cp2k-6.1/src/' se_fock_matrix_exchange.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/cp2k-6.1/src/' se_fock_matrix_exchange.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/se_fock_matrix.F se_fock_matrix.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/cp2k-6.1/src/' se_fock_matrix.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/cp2k-6.1/src/' se_fock_matrix.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_neighbor_lists.F qs_neighbor_lists.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/cp2k-6.1/src/' qs_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/cp2k-6.1/src/' qs_neighbor_lists.F90 /build/cp2k-6.1/src/qs_neighbor_lists.F:1222:0: IF (mol_a /= mol_b) CYCLE @@ -31531,38 +31565,38 @@ Warning: 'otype' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pme_tools.F pme_tools.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/cp2k-6.1/src/' pme_tools.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/cp2k-6.1/src/' pme_tools.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/spme.F spme.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/cp2k-6.1/src/' spme.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/cp2k-6.1/src/' spme.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_dbcsr_output.F cp_dbcsr_output.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/cp2k-6.1/src/' cp_dbcsr_output.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/cp2k-6.1/src/' cp_dbcsr_output.F90 /build/cp2k-6.1/src/cp_dbcsr_output.F:249:0: IF (print_sym) THEN Warning: 'print_sym' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dftb3_methods.F qs_dftb3_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/cp2k-6.1/src/' qs_dftb3_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/cp2k-6.1/src/' qs_dftb3_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_coulomb.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_coulomb.F90 /build/cp2k-6.1/src/qs_dftb_coulomb.F:966:0: pfr = -dfr*mcharge(iatom)*mcharge(jatom) Warning: 'dfr' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_util.F qmmm_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/cp2k-6.1/src/' qmmm_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/cp2k-6.1/src/' qmmm_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atomic_charges.F atomic_charges.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/cp2k-6.1/src/' atomic_charges.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/cp2k-6.1/src/' atomic_charges.F90 /build/cp2k-6.1/src/atomic_charges.F:135:0: SUBROUTINE print_multipoles(particle_set, qs_kind_set, scr, charge, dipole, quadrupole) Warning: 'print_multipoles' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mulliken.F mulliken.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/cp2k-6.1/src/' mulliken.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/cp2k-6.1/src/' mulliken.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dftb_matrices.F qs_dftb_matrices.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_matrices.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_matrices.F90 /build/cp2k-6.1/src/qs_dftb_matrices.F:2074:0: force_ab = -fsr*rij/dr @@ -31574,9 +31608,9 @@ Warning: 'use_virial' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/surface_dipole.F surface_dipole.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/cp2k-6.1/src/' surface_dipole.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/cp2k-6.1/src/' surface_dipole.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/cp2k-6.1/src/' qs_dispersion_nonloc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/cp2k-6.1/src/' qs_dispersion_nonloc.F90 /build/cp2k-6.1/src/qs_dispersion_nonloc.F:858:0: h_prefactor(i_grid) = h_prefactor(i_grid)+prefactor @@ -31614,9 +31648,9 @@ note: 'z_ab' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_vxc.F qs_vxc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/cp2k-6.1/src/' qs_vxc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/cp2k-6.1/src/' qs_vxc.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_moments.F ai_moments.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_moments.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_moments.F90 /build/cp2k-6.1/src/aobasis/ai_moments.F:881:0: s(1, 1, l) = rpc(i)*s(1, 1, l1) @@ -31628,11 +31662,11 @@ Warning: 'i' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_angmom.F ai_angmom.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_angmom.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_angmom.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/moments_utils.F moments_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/cp2k-6.1/src/' moments_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/cp2k-6.1/src/' moments_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_moments.F qs_moments.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/cp2k-6.1/src/' qs_moments.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/cp2k-6.1/src/' qs_moments.F90 /build/cp2k-6.1/src/qs_moments.F:222:0: IF (jatom == last_jatom) THEN @@ -31649,21 +31683,21 @@ note: 'last_jatom' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_efield_local.F qs_efield_local.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/cp2k-6.1/src/' qs_efield_local.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/cp2k-6.1/src/' qs_efield_local.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/cp2k-6.1/src/' qs_ks_qmmm_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/cp2k-6.1/src/' qs_ks_qmmm_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input/input_parsing.F input_parsing.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/cp2k-6.1/src/input/' input_parsing.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/cp2k-6.1/src/input/' input_parsing.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_check.F input_cp2k_check.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_check.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_check.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_output.F atom_output.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/cp2k-6.1/src/' atom_output.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/cp2k-6.1/src/' atom_output.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_optimization.F atom_optimization.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/cp2k-6.1/src/' atom_optimization.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/cp2k-6.1/src/' atom_optimization.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_xc.F atom_xc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/cp2k-6.1/src/' atom_xc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/cp2k-6.1/src/' atom_xc.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_electronic_structure.F atom_electronic_structure.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/cp2k-6.1/src/' atom_electronic_structure.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/cp2k-6.1/src/' atom_electronic_structure.F90 /build/cp2k-6.1/src/atom_electronic_structure.F:703:0: IF (need_xc) THEN @@ -31705,7 +31739,7 @@ note: 'need_x' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dkh_main.F dkh_main.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/cp2k-6.1/src/' dkh_main.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/cp2k-6.1/src/' dkh_main.F90 /build/cp2k-6.1/src/dkh_main.F:99:0: SUBROUTINE DKH_full_transformation(qs_env, matrix_s, matrix_v, matrix_t, matrix_pVp, n, dkh_order) @@ -31717,9 +31751,9 @@ Warning: 'even4a' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_operators.F atom_operators.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/cp2k-6.1/src/' atom_operators.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/cp2k-6.1/src/' atom_operators.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_fit.F atom_fit.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/cp2k-6.1/src/' atom_fit.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/cp2k-6.1/src/' atom_fit.F90 /build/cp2k-6.1/src/atom_fit.F:1703:0: END FUNCTION rcpro @@ -31736,11 +31770,11 @@ Warning: 'xtob.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_kind_orbitals.F atom_kind_orbitals.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/cp2k-6.1/src/' atom_kind_orbitals.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/cp2k-6.1/src/' atom_kind_orbitals.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hirshfeld_methods.F hirshfeld_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/cp2k-6.1/src/' hirshfeld_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/cp2k-6.1/src/' hirshfeld_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_cdft_utils.F qs_cdft_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/cp2k-6.1/src/' qs_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/cp2k-6.1/src/' qs_cdft_utils.F90 /build/cp2k-6.1/src/qs_cdft_utils.F:1025:0: nzeroed_inner = nzeroed_inner+1 @@ -31752,7 +31786,7 @@ Warning: 'nzeroed' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_cdft_methods.F qs_cdft_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/cp2k-6.1/src/' qs_cdft_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/cp2k-6.1/src/' qs_cdft_methods.F90 /build/cp2k-6.1/src/qs_cdft_methods.F:1531:0: SUBROUTINE hirshfeld_force(qs_env, cdft_control) @@ -31813,28 +31847,28 @@ Warning: 'sign' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/s_square_methods.F s_square_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/cp2k-6.1/src/' s_square_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/cp2k-6.1/src/' s_square_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/cp2k-6.1/src/' qs_ks_apply_restraints.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/cp2k-6.1/src/' qs_ks_apply_restraints.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dft_plus_u.F dft_plus_u.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/cp2k-6.1/src/' dft_plus_u.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/cp2k-6.1/src/' dft_plus_u.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfxbase/hfx_contraction_methods.F hfx_contraction_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/cp2k-6.1/src/hfxbase/' hfx_contraction_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/cp2k-6.1/src/hfxbase/' hfx_contraction_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_libint_interface.F hfx_libint_interface.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/cp2k-6.1/src/' hfx_libint_interface.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/cp2k-6.1/src/' hfx_libint_interface.F90 /build/cp2k-6.1/src/hfx_libint_interface.F:87:0: REAL(KIND=dp) :: AB(3), AB2, CD(3), CD2, Eta, EtaInv, factor, omega2, omega_corr, & Warning: 'factor' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_screening_methods.F hfx_screening_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/cp2k-6.1/src/' hfx_screening_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/cp2k-6.1/src/' hfx_screening_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_communication.F hfx_communication.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/cp2k-6.1/src/' hfx_communication.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/cp2k-6.1/src/' hfx_communication.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/t_sh_p_s_c.F t_sh_p_s_c.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"t_sh_p_s_c.F\"" -I'/build/cp2k-6.1/src/' t_sh_p_s_c.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"t_sh_p_s_c.F\"" -I'/build/cp2k-6.1/src/' t_sh_p_s_c.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_pair_list_methods.F hfx_pair_list_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/cp2k-6.1/src/' hfx_pair_list_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/cp2k-6.1/src/' hfx_pair_list_methods.F90 /build/cp2k-6.1/src/hfx_pair_list_methods.F:128:0: tmp_D = temp_DD+neighbor_cells(k)%cell_r(:) @@ -31863,7 +31897,7 @@ Warning: 'factor' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_load_balance_methods.F hfx_load_balance_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/cp2k-6.1/src/' hfx_load_balance_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/cp2k-6.1/src/' hfx_load_balance_methods.F90 /build/cp2k-6.1/src/hfx_load_balance_methods.F:2377:0: shm_bins_per_rank(i_thread+1) = nbins @@ -31941,7 +31975,7 @@ Warning: 'my_bin_size' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_derivatives.F hfx_derivatives.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/cp2k-6.1/src/' hfx_derivatives.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/cp2k-6.1/src/' hfx_derivatives.F90 /build/cp2k-6.1/src/hfx_get_pmax_val.f90:176:0: pmax_4 = ptr_p_4(kset, jset) @@ -32134,9 +32168,9 @@ Warning: 'maxval_container' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/hfx_derivatives.F:1342:0: Warning: 'maxval_cache' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfxbase/hfx_contract_block.F hfx_contract_block.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/cp2k-6.1/src/hfxbase/' hfx_contract_block.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/cp2k-6.1/src/hfxbase/' hfx_contract_block.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_energy_potential.F hfx_energy_potential.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/cp2k-6.1/src/' hfx_energy_potential.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/cp2k-6.1/src/' hfx_energy_potential.F90 /build/cp2k-6.1/src/hfx_energy_potential.F:204:0: full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & @@ -32260,13 +32294,13 @@ Warning: 'maxval_container_disk' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/hfx_energy_potential.F:2108:0: Warning: 'maxval_cache_disk' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/cp2k-6.1/src/' xc_adiabatic_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/cp2k-6.1/src/' xc_adiabatic_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/cp2k-6.1/src/' xc_adiabatic_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/cp2k-6.1/src/' xc_adiabatic_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/admm_methods.F admm_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/cp2k-6.1/src/' admm_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/cp2k-6.1/src/' admm_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hfx_admm_utils.F hfx_admm_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/cp2k-6.1/src/' hfx_admm_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/cp2k-6.1/src/' hfx_admm_utils.F90 /build/cp2k-6.1/src/hfx_admm_utils.F:1023:0: energy%ex = ehfx @@ -32279,17 +32313,17 @@ Warning: 'ehfxrt' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/hfx_admm_utils.F:390:0: Warning: 'ehfx' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/rtp_admm_methods.F rtp_admm_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/cp2k-6.1/src/' rtp_admm_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/cp2k-6.1/src/' rtp_admm_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_hash_table_functions.F qs_hash_table_functions.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/cp2k-6.1/src/' qs_hash_table_functions.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/cp2k-6.1/src/' qs_hash_table_functions.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_nl_hash_table_types.F qs_nl_hash_table_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/cp2k-6.1/src/' qs_nl_hash_table_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/cp2k-6.1/src/' qs_nl_hash_table_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ks_atom.F qs_ks_atom.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/cp2k-6.1/src/' qs_ks_atom.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/cp2k-6.1/src/' qs_ks_atom.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_core_energies.F qs_core_energies.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/cp2k-6.1/src/' qs_core_energies.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/cp2k-6.1/src/' qs_core_energies.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/hartree_local_methods.F hartree_local_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/cp2k-6.1/src/' hartree_local_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/cp2k-6.1/src/' hartree_local_methods.F90 /build/cp2k-6.1/src/hartree_local_methods.F:566:0: ecoul_1_z = 0.5_dp*SUM(Vh1_h(:, 1)*rrad_z(:)*grid_atom%wr(:)) @@ -32311,7 +32345,7 @@ note: 'MEM[(struct array01_real(kind=8) &)&rrad_z].offset' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/lri_ks_methods.F lri_ks_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/cp2k-6.1/src/' lri_ks_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/cp2k-6.1/src/' lri_ks_methods.F90 /build/cp2k-6.1/src/lri_ks_methods.F:81:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: hf_work, hs_work, int3, wab, wbb @@ -32321,7 +32355,7 @@ /build/cp2k-6.1/src/lri_ks_methods.F:81:0: Warning: 'hf_work.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/lri_ks_methods.F:81:0: Warning: 'hf_work.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/lri_forces.F lri_forces.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/cp2k-6.1/src/' lri_forces.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/cp2k-6.1/src/' lri_forces.F90 /build/cp2k-6.1/src/lri_forces.F:829:0: v_dadrc => lri_coef(kkind)%v_dadr(atom_c, :) @@ -32353,11 +32387,11 @@ note: 'lri_coef.data' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/kg_correction.F kg_correction.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/cp2k-6.1/src/' kg_correction.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/cp2k-6.1/src/' kg_correction.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_image_charge.F qmmm_image_charge.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/cp2k-6.1/src/' qmmm_image_charge.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/cp2k-6.1/src/' qmmm_image_charge.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_sccs.F qs_sccs.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/cp2k-6.1/src/' qs_sccs.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/cp2k-6.1/src/' qs_sccs.F90 /build/cp2k-6.1/src/qs_sccs.F:338:38: filename = mpi_filename @@ -32374,7 +32408,7 @@ 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_efield_berry.F qs_efield_berry.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/cp2k-6.1/src/' qs_efield_berry.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/cp2k-6.1/src/' qs_efield_berry.F90 /build/cp2k-6.1/src/qs_efield_berry.F:1052:0: force_tmp(iatom, :, i) = force_tmp(iatom, :, i)-fab*hmat(i, idir)*forcea(:) @@ -32388,15 +32422,15 @@ /build/cp2k-6.1/src/qs_efield_berry.F:693:0: Warning: 'force_tmp.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/qs_efield_berry.F:693:0: Warning: 'force_tmp.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/efield_utils.F efield_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/cp2k-6.1/src/' efield_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/cp2k-6.1/src/' efield_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_ddapc_forces.F cp_ddapc_forces.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/cp2k-6.1/src/' cp_ddapc_forces.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/cp2k-6.1/src/' cp_ddapc_forces.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_ddapc_util.F cp_ddapc_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/cp2k-6.1/src/' cp_ddapc_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/cp2k-6.1/src/' cp_ddapc_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_ddapc.F cp_ddapc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/cp2k-6.1/src/' cp_ddapc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/cp2k-6.1/src/' cp_ddapc.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ks_utils.F qs_ks_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/cp2k-6.1/src/' qs_ks_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/cp2k-6.1/src/' qs_ks_utils.F90 /build/cp2k-6.1/src/qs_ks_utils.F:1219:0: REAL(dp) :: dvol, sign @@ -32413,17 +32447,17 @@ Warning: 'nelec' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ks_methods.F qs_ks_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/cp2k-6.1/src/' qs_ks_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/cp2k-6.1/src/' qs_ks_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/spglib_f08.F spglib_f08.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/cp2k-6.1/src/' spglib_f08.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/cp2k-6.1/src/' spglib_f08.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cryssym.F cryssym.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/cp2k-6.1/src/' cryssym.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/cp2k-6.1/src/' cryssym.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/kpoint_methods.F kpoint_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/cp2k-6.1/src/' kpoint_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/cp2k-6.1/src/' kpoint_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_lanczos.F qs_scf_lanczos.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/cp2k-6.1/src/' qs_scf_lanczos.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/cp2k-6.1/src/' qs_scf_lanczos.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_gspace_mixing.F qs_gspace_mixing.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/cp2k-6.1/src/' qs_gspace_mixing.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/cp2k-6.1/src/' qs_gspace_mixing.F90 /build/cp2k-6.1/src/qs_gspace_mixing.F:989:0: COMPLEX(dp), ALLOCATABLE, DIMENSION(:) :: delta_res_p, res_rho, res_rho_p, tmp @@ -32453,11 +32487,11 @@ Warning: 'ib' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_diagonalization.F qs_scf_diagonalization.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/cp2k-6.1/src/' qs_scf_diagonalization.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/cp2k-6.1/src/' qs_scf_diagonalization.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_mom_methods.F qs_mom_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/cp2k-6.1/src/' qs_mom_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/cp2k-6.1/src/' qs_mom_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_mo_io.F qs_mo_io.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/cp2k-6.1/src/' qs_mo_io.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/cp2k-6.1/src/' qs_mo_io.F90 /build/cp2k-6.1/src/qs_mo_io.F:686:0: nspin_read, offset_read, source @@ -32533,15 +32567,15 @@ Warning: 'cmatrix.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/qs_mo_io.F:1023:0: Warning: 'cmatrix.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_wf_history_methods.F qs_wf_history_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/cp2k-6.1/src/' qs_wf_history_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/cp2k-6.1/src/' qs_wf_history_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/kpoint_io.F kpoint_io.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/cp2k-6.1/src/' kpoint_io.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/cp2k-6.1/src/' kpoint_io.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_initial_guess.F qs_initial_guess.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/cp2k-6.1/src/' qs_initial_guess.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/cp2k-6.1/src/' qs_initial_guess.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf_qs.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf_qs.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_ml_descriptor.F pao_ml_descriptor.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/cp2k-6.1/src/' pao_ml_descriptor.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/cp2k-6.1/src/' pao_ml_descriptor.F90 /build/cp2k-6.1/src/pao_ml_descriptor.F:212:0: REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs @@ -32568,13 +32602,13 @@ note: 'block_m.dim[0].ubound' was declared here /build/cp2k-6.1/src/pao_ml_descriptor.F:109:0: Warning: 'block_m.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_io.F pao_io.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/cp2k-6.1/src/' pao_io.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/cp2k-6.1/src/' pao_io.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/cp2k-6.1/src/' pao_ml_gaussprocess.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/cp2k-6.1/src/' pao_ml_gaussprocess.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/cp2k-6.1/src/' pao_ml_neuralnet.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/cp2k-6.1/src/' pao_ml_neuralnet.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_ml.F pao_ml.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/cp2k-6.1/src/' pao_ml.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/cp2k-6.1/src/' pao_ml.F90 /build/cp2k-6.1/src/pao_ml.F:335:0: ALLOCATE (training_matrices(SIZE(training_lists))) @@ -32594,7 +32628,7 @@ /build/cp2k-6.1/src/pao_ml.F:335:0: Warning: 'MEM[(struct training_matrix_type *)&training_matrix_type.105 + 504B]' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/pao_ml.F:335:0: Warning: 'MEM[(struct training_matrix_type *)&training_matrix_type.105 + 512B]' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dm_ls_scf_methods.F dm_ls_scf_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf_methods.F90 /build/cp2k-6.1/src/dm_ls_scf_methods.F:394:0: mu = (mu_low+mu_high)/2 @@ -32602,7 +32636,7 @@ Warning: 'mu_low' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/dm_ls_scf_methods.F:394:0: Warning: 'mu_high' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_methods.F pao_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/cp2k-6.1/src/' pao_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/cp2k-6.1/src/' pao_methods.F90 /build/cp2k-6.1/src/pao_methods.F:1030:0: block_X(i, j) = old_Xij @@ -32614,40 +32648,40 @@ Warning: 'gij_num' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_external_control.F cp_external_control.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/cp2k-6.1/src/' cp_external_control.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/cp2k-6.1/src/' cp_external_control.F90 /build/cp2k-6.1/src/cp_external_control.F:210:0: time_check = m_walltime()-my_start_time Warning: 'my_start_time' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_optimizer.F pao_optimizer.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/cp2k-6.1/src/' pao_optimizer.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/cp2k-6.1/src/' pao_optimizer.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pao_main.F pao_main.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/cp2k-6.1/src/' pao_main.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/cp2k-6.1/src/' pao_main.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pexsi_methods.F pexsi_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/cp2k-6.1/src/' pexsi_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/cp2k-6.1/src/' pexsi_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dm_ls_scf_create.F dm_ls_scf_create.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf_create.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf_create.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_elec_field.F ai_elec_field.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_elec_field.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_elec_field.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_elec_field.F qs_elec_field.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/cp2k-6.1/src/' qs_elec_field.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/cp2k-6.1/src/' qs_elec_field.F90 /build/cp2k-6.1/src/qs_elec_field.F:197:0: IF (jatom /= last_jatom) THEN Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_fermi_contact.F ai_fermi_contact.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_fermi_contact.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_fermi_contact.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fermi_contact.F qs_fermi_contact.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/cp2k-6.1/src/' qs_fermi_contact.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/cp2k-6.1/src/' qs_fermi_contact.F90 /build/cp2k-6.1/src/qs_fermi_contact.F:194:0: IF (jatom /= last_jatom) THEN Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_operators_ao.F qs_operators_ao.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/cp2k-6.1/src/' qs_operators_ao.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/cp2k-6.1/src/' qs_operators_ao.F90 /build/cp2k-6.1/src/qs_operators_ao.F:1481:0: IF (jatom /= last_jatom) THEN @@ -32695,18 +32729,18 @@ Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_spin_orbit.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_spin_orbit.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_spin_orbit.F qs_spin_orbit.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/cp2k-6.1/src/' qs_spin_orbit.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/cp2k-6.1/src/' qs_spin_orbit.F90 /build/cp2k-6.1/src/qs_spin_orbit.F:194:0: IF (jatom /= last_jatom) THEN Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_op.F qs_linres_op.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/cp2k-6.1/src/' qs_linres_op.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/cp2k-6.1/src/' qs_linres_op.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_atom_current.F qs_linres_atom_current.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/cp2k-6.1/src/' qs_linres_atom_current.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/cp2k-6.1/src/' qs_linres_atom_current.F90 /build/cp2k-6.1/src/qs_linres_atom_current.F:128:0: REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: a_matrix, b_matrix, c_matrix, d_matrix @@ -32715,7 +32749,7 @@ /build/cp2k-6.1/src/qs_linres_atom_current.F:128:0: Warning: 'c_matrix.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/qs_linres_atom_current.F:128:0: Warning: 'b_matrix.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_current.F qs_linres_current.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/cp2k-6.1/src/' qs_linres_current.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/cp2k-6.1/src/' qs_linres_current.F90 /build/cp2k-6.1/src/qs_linres_current.F:1263:0: TYPE(box_type), DIMENSION(:, :, :), POINTER :: box @@ -32744,30 +32778,30 @@ note: 'MEM[(struct array03_box_type &)&box].dim[0].ubound' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/transport.F transport.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/cp2k-6.1/src/' transport.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/cp2k-6.1/src/' transport.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_types.F topology_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/cp2k-6.1/src/' topology_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/cp2k-6.1/src/' topology_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_connectivity_util.F topology_connectivity_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/cp2k-6.1/src/' topology_connectivity_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/cp2k-6.1/src/' topology_connectivity_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mixed_environment_utils.F mixed_environment_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/cp2k-6.1/src/' mixed_environment_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/cp2k-6.1/src/' mixed_environment_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/rmsd.F rmsd.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/cp2k-6.1/src/' rmsd.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/cp2k-6.1/src/' rmsd.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atoms_input.F atoms_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/cp2k-6.1/src/' atoms_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/cp2k-6.1/src/' atoms_input.F90 /build/cp2k-6.1/src/atoms_input.F:441:0: core_particle_set(sh_index)%r(:) = rc(:, ishell)*unit_conv_core Warning: 'unit_conv_core' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pair_potential_coulomb.F pair_potential_coulomb.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/cp2k-6.1/src/' pair_potential_coulomb.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/cp2k-6.1/src/' pair_potential_coulomb.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/splines_methods.F splines_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/cp2k-6.1/src/' splines_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/cp2k-6.1/src/' splines_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pair_potential_util.F pair_potential_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/cp2k-6.1/src/' pair_potential_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/cp2k-6.1/src/' pair_potential_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pair_potential.F pair_potential.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/cp2k-6.1/src/' pair_potential.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/cp2k-6.1/src/' pair_potential.F90 /build/cp2k-6.1/src/pair_potential.F:1014:0: pot%spl_f%rcutsq_f = (min_sigma6/m_sigma6)**(1.0_dp/3.0_dp) @@ -32784,11 +32818,11 @@ Warning: 'm_epsilon' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/extended_system_types.F extended_system_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/cp2k-6.1/src/' extended_system_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/cp2k-6.1/src/' extended_system_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_binary_restarts.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_binary_restarts.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/force_fields_all.F force_fields_all.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/cp2k-6.1/src/' force_fields_all.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/cp2k-6.1/src/' force_fields_all.F90 /build/cp2k-6.1/src/force_fields_all.F:2677:0: rmin = rmin2_a+rmin2_b @@ -32802,9 +32836,9 @@ Warning: 'epsilon_b' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/force_fields_all.F:2679:0: Warning: 'epsilon_a' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/force_fields_util.F force_fields_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/cp2k-6.1/src/' force_fields_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/cp2k-6.1/src/' force_fields_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/constraint_fxd.F constraint_fxd.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/cp2k-6.1/src/' constraint_fxd.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/cp2k-6.1/src/' constraint_fxd.F90 /build/cp2k-6.1/src/constraint_fxd.F:240:0: shell_particle_set(shell_index)%f(:) = force(:, natom+shell_index) @@ -32820,7 +32854,7 @@ /build/cp2k-6.1/src/constraint_fxd.F:239:0: Warning: 'core_particle_set.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/constraint_fxd.F:239:0: Warning: 'core_particle_set.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/colvar_methods.F colvar_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/cp2k-6.1/src/' colvar_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/cp2k-6.1/src/' colvar_methods.F90 /build/cp2k-6.1/src/colvar_methods.F:1276:70: tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component) @@ -32888,22 +32922,22 @@ /build/cp2k-6.1/src/colvar_methods.F:2979:0: Warning: 'dedxib' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/colvar_methods.F:2979:0: Warning: 'dedxia' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/cp2k-6.1/src/' topology_multiple_unit_cell.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/cp2k-6.1/src/' topology_multiple_unit_cell.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/graphcon.F graphcon.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/cp2k-6.1/src/' graphcon.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/cp2k-6.1/src/' graphcon.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mm_mapping_library.F mm_mapping_library.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/cp2k-6.1/src/' mm_mapping_library.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/cp2k-6.1/src/' mm_mapping_library.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_util.F topology_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/cp2k-6.1/src/' topology_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/cp2k-6.1/src/' topology_util.F90 /build/cp2k-6.1/src/topology_util.F:996:61: upper_sym_1 = id2str(atom_info%id_element(iatom)) 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_restarts_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_restarts_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_generate_util.F topology_generate_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/cp2k-6.1/src/' topology_generate_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/cp2k-6.1/src/' topology_generate_util.F90 /build/cp2k-6.1/src/topology_generate_util.F:1913:59: atm_symbol = id2str(atom_info%id_element(i)) @@ -32932,43 +32966,43 @@ Warning: 'rbond' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_amber.F topology_amber.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/cp2k-6.1/src/' topology_amber.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/cp2k-6.1/src/' topology_amber.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_cp2k.F topology_cp2k.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/cp2k-6.1/src/' topology_cp2k.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/cp2k-6.1/src/' topology_cp2k.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_xyz.F topology_xyz.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/cp2k-6.1/src/' topology_xyz.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/cp2k-6.1/src/' topology_xyz.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/colvar_utils.F colvar_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/cp2k-6.1/src/' colvar_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/cp2k-6.1/src/' colvar_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_gromos.F topology_gromos.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/cp2k-6.1/src/' topology_gromos.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/cp2k-6.1/src/' topology_gromos.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_cif.F topology_cif.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/cp2k-6.1/src/' topology_cif.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/cp2k-6.1/src/' topology_cif.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_xtl.F topology_xtl.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/cp2k-6.1/src/' topology_xtl.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/cp2k-6.1/src/' topology_xtl.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_coordinate_util.F topology_coordinate_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/cp2k-6.1/src/' topology_coordinate_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/cp2k-6.1/src/' topology_coordinate_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_topology_util.F qmmm_topology_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/cp2k-6.1/src/' qmmm_topology_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/cp2k-6.1/src/' qmmm_topology_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/force_fields_input.F force_fields_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/cp2k-6.1/src/' force_fields_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/cp2k-6.1/src/' force_fields_input.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_psf.F topology_psf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/cp2k-6.1/src/' topology_psf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/cp2k-6.1/src/' topology_psf.F90 /build/cp2k-6.1/src/topology_psf.F:781:43: extension=".psf",my_local=.FALSE.) 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp2k_info.F cp2k_info.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/cp2k-6.1/src/' cp2k_info.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/cp2k-6.1/src/' cp2k_info.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_pdb.F topology_pdb.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/cp2k-6.1/src/' topology_pdb.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/cp2k-6.1/src/' topology_pdb.F90 /build/cp2k-6.1/src/topology_pdb.F:317:63: my_local=.FALSE.) 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_constraint_util.F topology_constraint_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/cp2k-6.1/src/' topology_constraint_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/cp2k-6.1/src/' topology_constraint_util.F90 /build/cp2k-6.1/src/topology_constraint_util.F:750:0: fixd_list(kk)%restraint%active = cons_info%fixed_mol_restraint(k1loc) @@ -32980,19 +33014,19 @@ Warning: 'itype' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology_input.F topology_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/cp2k-6.1/src/' topology_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/cp2k-6.1/src/' topology_input.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/topology.F topology.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/cp2k-6.1/src/' topology.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/cp2k-6.1/src/' topology.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_subsys_methods.F cp_subsys_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/cp2k-6.1/src/' cp_subsys_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/cp2k-6.1/src/' cp_subsys_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_subsys_methods.F qs_subsys_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/cp2k-6.1/src/' qs_subsys_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/cp2k-6.1/src/' qs_subsys_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_energy_matrix_w.F qs_energy_matrix_w.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/build/cp2k-6.1/src/' qs_energy_matrix_w.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/build/cp2k-6.1/src/' qs_energy_matrix_w.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/cp2k-6.1/src/' qs_update_s_mstruct.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/cp2k-6.1/src/' qs_update_s_mstruct.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_kinetic.F ai_kinetic.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_kinetic.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_kinetic.F90 /build/cp2k-6.1/src/aobasis/ai_kinetic.F:73:0: ib, idx, idy, idz, ipgf, jpgf, la, lb, & @@ -33001,7 +33035,7 @@ /build/cp2k-6.1/src/aobasis/ai_kinetic.F:73:0: Warning: 'idy' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/aobasis/ai_kinetic.F:73:0: Warning: 'idx' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_kinetic.F qs_kinetic.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/cp2k-6.1/src/' qs_kinetic.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/cp2k-6.1/src/' qs_kinetic.F90 /build/cp2k-6.1/src/qs_kinetic.F:320:0: IF (do_forces .AND. ASSOCIATED(p_block) .AND. ((iatom /= jatom) .OR. use_virial)) THEN @@ -33018,9 +33052,9 @@ Warning: 'dokp' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_condnum.F qs_condnum.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/cp2k-6.1/src/' qs_condnum.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/cp2k-6.1/src/' qs_condnum.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/core_ppnl.F core_ppnl.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/cp2k-6.1/src/' core_ppnl.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/cp2k-6.1/src/' core_ppnl.F90 /build/cp2k-6.1/src/core_ppnl.F:125:0: sphi_a, vprj_ppnl, zeta @@ -33053,9 +33087,9 @@ /build/cp2k-6.1/src/core_ppnl.F:123:0: Warning: 'alpha_ppnl.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/core_ppnl.F:123:0: Warning: 'alpha_ppnl.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_verfc.F ai_verfc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_verfc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_verfc.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/core_ae.F core_ae.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/cp2k-6.1/src/' core_ae.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/cp2k-6.1/src/' core_ae.F90 /build/cp2k-6.1/src/core_ae.F:105:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hab, pab, verf, vnuc @@ -33065,7 +33099,7 @@ /build/cp2k-6.1/src/core_ae.F:105:0: Warning: 'pab.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/core_ae.F:105:0: Warning: 'pab.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/cp2k-6.1/src/' kg_tnadd_mat.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/cp2k-6.1/src/' kg_tnadd_mat.F90 /build/cp2k-6.1/src/kg_tnadd_mat.F:109:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: hab, pab @@ -33085,11 +33119,11 @@ /build/cp2k-6.1/src/kg_tnadd_mat.F:109:0: Warning: 'pab.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/kg_tnadd_mat.F:109:0: Warning: 'pab.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/cp2k-6.1/src/' qs_core_hamiltonian.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/cp2k-6.1/src/' qs_core_hamiltonian.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_basis_gradient.F qs_basis_gradient.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/cp2k-6.1/src/' qs_basis_gradient.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/cp2k-6.1/src/' qs_basis_gradient.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_outer_scf.F qs_outer_scf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/cp2k-6.1/src/' qs_outer_scf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/cp2k-6.1/src/' qs_outer_scf.F90 /build/cp2k-6.1/src/qs_outer_scf.F:533:0: ddapc_restraint_control%strength = extrapolation(1) @@ -33111,28 +33145,28 @@ Warning: 'ddapc_restraint_control' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ewald_pw_methods.F ewald_pw_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/cp2k-6.1/src/' ewald_pw_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/cp2k-6.1/src/' ewald_pw_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pw_env_methods.F pw_env_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/cp2k-6.1/src/' pw_env_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/cp2k-6.1/src/' pw_env_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_environment_methods.F qs_environment_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/cp2k-6.1/src/' qs_environment_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/cp2k-6.1/src/' qs_environment_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dftb_parameters.F qs_dftb_parameters.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_parameters.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_parameters.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/aux_basis_set.F aux_basis_set.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/cp2k-6.1/src/aobasis/' aux_basis_set.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/cp2k-6.1/src/aobasis/' aux_basis_set.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/auto_basis.F auto_basis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/cp2k-6.1/src/' auto_basis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/cp2k-6.1/src/' auto_basis.F90 /build/cp2k-6.1/src/auto_basis.F:61:0: INTEGER :: i, j, jj, l, laux, linc, lmax, lval, lx, & Warning: 'laux' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/cp2k-6.1/src/shg_int/' generic_shg_integrals_init.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/cp2k-6.1/src/shg_int/' generic_shg_integrals_init.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/lri_environment_init.F lri_environment_init.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/cp2k-6.1/src/' lri_environment_init.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/cp2k-6.1/src/' lri_environment_init.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/molsym.F molsym.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/cp2k-6.1/src/' molsym.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/cp2k-6.1/src/' molsym.F90 /build/cp2k-6.1/src/molsym.F:1732:0: coord(idx, :) = MATMUL(TRANSPOSE(sym%tenvec(:, :)), coord(:, :)) @@ -33143,9 +33177,9 @@ /build/cp2k-6.1/src/molsym.F:1732:0: Warning: '__var_3_mmb.dim[1].lbound' is used uninitialized in this function [-Wuninitialized] /build/cp2k-6.1/src/molsym.F:1732:0: Warning: '__var_3_mmb.dim[1].ubound' is used uninitialized in this function [-Wuninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_symmetry.F cp_symmetry.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/cp2k-6.1/src/' cp_symmetry.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/cp2k-6.1/src/' cp_symmetry.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/cp2k-6.1/src/' qs_dispersion_pairpot.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/cp2k-6.1/src/' qs_dispersion_pairpot.F90 /build/cp2k-6.1/src/qs_dispersion_pairpot.F:872:0: e8, e8tot, e9, e9tot, elrc6, elrc8, elrc9, eps_cn, er, esrb, evdw, f0ab, fac, fac0, & @@ -33230,9 +33264,9 @@ /build/cp2k-6.1/src/qs_dispersion_pairpot.F:1295:0: Warning: 'atener.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/qs_dispersion_pairpot.F:1295:0: Warning: 'atener.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dispersion_utils.F qs_dispersion_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/cp2k-6.1/src/' qs_dispersion_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/cp2k-6.1/src/' qs_dispersion_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/kg_vertex_coloring_methods.F kg_vertex_coloring_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/cp2k-6.1/src/' kg_vertex_coloring_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/cp2k-6.1/src/' kg_vertex_coloring_methods.F90 /build/cp2k-6.1/src/kg_vertex_coloring_methods.F:201:0: IF (newcolor .GT. ncolors) ncolors = newcolor @@ -33249,13 +33283,13 @@ Warning: 'nneighbors' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_interactions.F qs_interactions.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/cp2k-6.1/src/' qs_interactions.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/cp2k-6.1/src/' qs_interactions.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/kg_environment.F kg_environment.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/cp2k-6.1/src/' kg_environment.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/cp2k-6.1/src/' kg_environment.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc_write_output.F xc_write_output.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/cp2k-6.1/src/' xc_write_output.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/cp2k-6.1/src/' xc_write_output.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp_control_utils.F cp_control_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/cp2k-6.1/src/' cp_control_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/cp2k-6.1/src/' cp_control_utils.F90 /build/cp2k-6.1/src/cp_control_utils.F:748:62: qs_control%method = enum_i2c(enum, qs_control%method_id) @@ -33267,13 +33301,13 @@ Warning: 'isize' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/almo_scf_env_methods.F almo_scf_env_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/cp2k-6.1/src/' almo_scf_env_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/cp2k-6.1/src/' almo_scf_env_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_setup.F mp2_setup.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/cp2k-6.1/src/' mp2_setup.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/cp2k-6.1/src/' mp2_setup.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/header.F header.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/cp2k-6.1/src/' header.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/cp2k-6.1/src/' header.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_environment.F qs_environment.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/cp2k-6.1/src/' qs_environment.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/cp2k-6.1/src/' qs_environment.F90 /build/cp2k-6.1/src/qs_environment.F:979:87: dispersion_env%parameter_file_name = dftb_control%dispersion_parameter_file @@ -33295,7 +33329,7 @@ note: 'dftb_control' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_buffer_types.F qs_fb_buffer_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_buffer_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_buffer_types.F90 /build/cp2k-6.1/src/qs_fb_buffer_types.F:213:0: SUBROUTINE fb_buffer_i_associate(a, b) @@ -33307,7 +33341,7 @@ Warning: 'fb_buffer_d_associate' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_hash_table_types.F qs_fb_hash_table_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_hash_table_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_hash_table_types.F90 /build/cp2k-6.1/src/qs_fb_hash_table_types.F:355:0: SUBROUTINE fb_hash_table_remove(hash_table, key) @@ -33324,7 +33358,7 @@ Warning: 'fb_hash_table_status' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_matrix_data_types.F qs_fb_matrix_data_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_matrix_data_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_matrix_data_types.F90 /build/cp2k-6.1/src/qs_fb_matrix_data_types.F:142:0: SUBROUTINE fb_matrix_data_associate(a, b) @@ -33341,7 +33375,7 @@ Warning: 'fb_matrix_data_status' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_com_tasks_types.F qs_fb_com_tasks_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_com_tasks_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/cp2k-6.1/src/' qs_fb_com_tasks_types.F90 /build/cp2k-6.1/src/qs_fb_com_tasks_types.F:157:0: SUBROUTINE fb_com_tasks_retain(com_tasks) @@ -33373,43 +33407,43 @@ Warning: 'fb_com_tasks_init' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_atomic_matrix_methods.F qs_fb_atomic_matrix_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/cp2k-6.1/src/' qs_fb_atomic_matrix_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/cp2k-6.1/src/' qs_fb_atomic_matrix_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/cp2k-6.1/src/' qs_fb_filter_matrix_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/cp2k-6.1/src/' qs_fb_filter_matrix_methods.F90 /build/cp2k-6.1/src/qs_fb_filter_matrix_methods.F:1442:0: SUBROUTINE fb_fltrmat_fermi_dirac_ne(f, eigenvals, T, ne, maxocc) Warning: 'fb_fltrmat_fermi_dirac_ne' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_env_methods.F qs_fb_env_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/cp2k-6.1/src/' qs_fb_env_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/cp2k-6.1/src/' qs_fb_env_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_ot_scf.F qs_ot_scf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/cp2k-6.1/src/' qs_ot_scf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/cp2k-6.1/src/' qs_ot_scf.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_output.F qs_scf_output.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/cp2k-6.1/src/' qs_scf_output.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/cp2k-6.1/src/' qs_scf_output.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_loop_utils.F qs_scf_loop_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/cp2k-6.1/src/' qs_scf_loop_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/cp2k-6.1/src/' qs_scf_loop_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/cp2k-6.1/src/' qs_cdft_scf_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/cp2k-6.1/src/' qs_cdft_scf_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/cp2k-6.1/src/' qs_fb_distribution_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/cp2k-6.1/src/' qs_fb_distribution_methods.F90 /build/cp2k-6.1/src/qs_fb_distribution_methods.F:795:0: SUBROUTINE fb_distribution_move_el(dist_from, element, dist_to) Warning: 'fb_distribution_move_el' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xas_restart.F xas_restart.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/cp2k-6.1/src/' xas_restart.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/cp2k-6.1/src/' xas_restart.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_initialization.F qs_scf_initialization.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/cp2k-6.1/src/' qs_scf_initialization.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/cp2k-6.1/src/' qs_scf_initialization.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_post_se.F qs_scf_post_se.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/cp2k-6.1/src/' qs_scf_post_se.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/cp2k-6.1/src/' qs_scf_post_se.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_external_density.F qs_external_density.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/cp2k-6.1/src/' qs_external_density.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/cp2k-6.1/src/' qs_external_density.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_external_potential.F qs_external_potential.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/cp2k-6.1/src/' qs_external_potential.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/cp2k-6.1/src/' qs_external_potential.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/se_core_core.F se_core_core.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/cp2k-6.1/src/' se_core_core.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/cp2k-6.1/src/' se_core_core.F90 /build/cp2k-6.1/src/se_core_core.F:92:0: enuclear, r2inv, r3inv, rinv @@ -33417,7 +33451,7 @@ Warning: 'r3inv' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/se_core_core.F:92:0: Warning: 'r2inv' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/se_core_matrix.F se_core_matrix.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/cp2k-6.1/src/' se_core_matrix.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/cp2k-6.1/src/' se_core_matrix.F90 /build/cp2k-6.1/src/se_core_matrix.F:425:0: SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S) @@ -33439,9 +33473,9 @@ Warning: 'atom_a' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_dispersion.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/cp2k-6.1/src/' qs_dftb_dispersion.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/optimize_embedding_potential.F optimize_embedding_potential.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/cp2k-6.1/src/' optimize_embedding_potential.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/cp2k-6.1/src/' optimize_embedding_potential.F90 /build/cp2k-6.1/src/optimize_embedding_potential.F:1608:0: SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) @@ -33453,53 +33487,53 @@ Warning: 'hessian_update' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_energy_init.F qs_energy_init.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/cp2k-6.1/src/' qs_energy_init.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/cp2k-6.1/src/' qs_energy_init.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_gamma2kp.F qs_gamma2kp.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/cp2k-6.1/src/' qs_gamma2kp.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/cp2k-6.1/src/' qs_gamma2kp.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_band_structure.F qs_band_structure.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/cp2k-6.1/src/' qs_band_structure.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/cp2k-6.1/src/' qs_band_structure.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/cp2k-6.1/src/' lri_optimize_ri_basis_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/cp2k-6.1/src/' lri_optimize_ri_basis_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/cp2k-6.1/src/' lri_optimize_ri_basis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/cp2k-6.1/src/' lri_optimize_ri_basis.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/cp2k-6.1/src/' qs_scf_wfn_mix.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/cp2k-6.1/src/' qs_scf_wfn_mix.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_post_dftb.F qs_scf_post_dftb.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_dftb.F\"" -I'/build/cp2k-6.1/src/' qs_scf_post_dftb.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_dftb.F\"" -I'/build/cp2k-6.1/src/' qs_scf_post_dftb.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/basis_set_output.F basis_set_output.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/cp2k-6.1/src/' basis_set_output.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/cp2k-6.1/src/' basis_set_output.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mao_methods.F mao_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/cp2k-6.1/src/' mao_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/cp2k-6.1/src/' mao_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mao_optimizer.F mao_optimizer.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/cp2k-6.1/src/' mao_optimizer.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/cp2k-6.1/src/' mao_optimizer.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mao_basis.F mao_basis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/cp2k-6.1/src/' mao_basis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/cp2k-6.1/src/' mao_basis.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/minbas_methods.F minbas_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/cp2k-6.1/src/' minbas_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/cp2k-6.1/src/' minbas_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/molden_utils.F molden_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/cp2k-6.1/src/' molden_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/cp2k-6.1/src/' molden_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/cp2k-6.1/src/' minbas_wfn_analysis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/cp2k-6.1/src/' minbas_wfn_analysis.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/cp2k-6.1/src/' qs_electric_field_gradient.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/cp2k-6.1/src/' qs_electric_field_gradient.F90 /build/cp2k-6.1/src/qs_electric_field_gradient.F:104:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: efg_pw, efg_tensor Warning: 'efg_pw.dim[2].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/wannier90.F wannier90.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/cp2k-6.1/src/' wannier90.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/cp2k-6.1/src/' wannier90.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_wannier90.F qs_wannier90.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/cp2k-6.1/src/' qs_wannier90.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/cp2k-6.1/src/' qs_wannier90.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/matrix_exp.F matrix_exp.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/cp2k-6.1/src/' matrix_exp.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/cp2k-6.1/src/' matrix_exp.F90 /build/cp2k-6.1/src/matrix_exp.F:523:0: Npq%local_data(:, k) = Npq%local_data(:, k)+scaleN*Tres%local_data(:, k) Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_localization_methods.F qs_localization_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/cp2k-6.1/src/' qs_localization_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/cp2k-6.1/src/' qs_localization_methods.F90 /build/cp2k-6.1/src/qs_localization_methods.F:1367:0: ip, ip_has_i, ip_partner, ip_recv_from, ip_recv_partner, ipair, iperm, istat, istate, & @@ -33512,7 +33546,7 @@ Warning: 'gmat.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/qs_localization_methods.F:1373:0: Warning: 'gmat.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_loc_utils.F qs_loc_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/cp2k-6.1/src/' qs_loc_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/cp2k-6.1/src/' qs_loc_utils.F90 /build/cp2k-6.1/src/qs_loc_utils.F:797:0: IF (jatom /= last_jatom) THEN @@ -33529,11 +33563,11 @@ Warning: 'my_occ' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion_utils.F motion_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/cp2k-6.1/src/' motion_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/cp2k-6.1/src/' motion_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_loc_methods.F qs_loc_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/cp2k-6.1/src/' qs_loc_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/cp2k-6.1/src/' qs_loc_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_active_space_methods.F qs_active_space_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/cp2k-6.1/src/' qs_active_space_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/cp2k-6.1/src/' qs_active_space_methods.F90 /build/cp2k-6.1/src/qs_active_space_methods.F:1161:0: wfn_r%pw%cr3d = rho_r%pw%cr3d*wfn3%pw%cr3d*wfn4%pw%cr3d @@ -33597,7 +33631,7 @@ note: 'print1' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mao_wfn_analysis.F mao_wfn_analysis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/cp2k-6.1/src/' mao_wfn_analysis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/cp2k-6.1/src/' mao_wfn_analysis.F90 /build/cp2k-6.1/src/mao_wfn_analysis.F:103:0: qmatbc, raq, sab, selnABC, sinv, & @@ -33606,16 +33640,16 @@ /build/cp2k-6.1/src/mao_wfn_analysis.F:103:0: Warning: 'selnabc.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/mao_wfn_analysis.F:103:0: Warning: 'selnabc.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_loc_molecules.F qs_loc_molecules.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/cp2k-6.1/src/' qs_loc_molecules.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/cp2k-6.1/src/' qs_loc_molecules.F90 /build/cp2k-6.1/src/qs_loc_molecules.F:78:0: INTEGER :: akind, counter, first_atom, i, iatom, ikind, imol, imol_now, istate, j, & Warning: 'imol_now' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/uff_vdw_radii_table.F uff_vdw_radii_table.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/cp2k-6.1/src/' uff_vdw_radii_table.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/cp2k-6.1/src/' uff_vdw_radii_table.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_resp.F qs_resp.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/cp2k-6.1/src/' qs_resp.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/cp2k-6.1/src/' qs_resp.F90 /build/cp2k-6.1/src/qs_resp.F:856:0: IF (dist(i) < rmin+delta) not_in_range(i, 1) = .TRUE. @@ -33677,7 +33711,7 @@ note: 'in_x' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_pdos.F qs_pdos.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/cp2k-6.1/src/' qs_pdos.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/cp2k-6.1/src/' qs_pdos.F90 /build/cp2k-6.1/src/qs_pdos.F:878:0: IF (.NOT. read_r(3, ildos)) THEN @@ -33689,7 +33723,7 @@ Warning: 'dvol' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/commutator_rpnl.F commutator_rpnl.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/cp2k-6.1/src/' commutator_rpnl.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/cp2k-6.1/src/' commutator_rpnl.F90 /build/cp2k-6.1/src/commutator_rpnl.F:89:0: REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & @@ -33747,23 +33781,23 @@ Warning: 'lppnl' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/commutator_rkinetic.F commutator_rkinetic.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/cp2k-6.1/src/' commutator_rkinetic.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/cp2k-6.1/src/' commutator_rkinetic.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_commutators.F qs_commutators.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/cp2k-6.1/src/' qs_commutators.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/cp2k-6.1/src/' qs_commutators.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xray_diffraction.F xray_diffraction.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/cp2k-6.1/src/' xray_diffraction.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/cp2k-6.1/src/' xray_diffraction.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_epr_hyp.F qs_epr_hyp.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/cp2k-6.1/src/' qs_epr_hyp.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/cp2k-6.1/src/' qs_epr_hyp.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/population_analyses.F population_analyses.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/cp2k-6.1/src/' population_analyses.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/cp2k-6.1/src/' population_analyses.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/molecular_states.F molecular_states.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/cp2k-6.1/src/' molecular_states.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/cp2k-6.1/src/' molecular_states.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/stm_images.F stm_images.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/cp2k-6.1/src/' stm_images.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/cp2k-6.1/src/' stm_images.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/wannier_states.F wannier_states.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/cp2k-6.1/src/' wannier_states.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/cp2k-6.1/src/' wannier_states.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_post_gpw.F qs_scf_post_gpw.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/cp2k-6.1/src/' qs_scf_post_gpw.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/cp2k-6.1/src/' qs_scf_post_gpw.F90 /build/cp2k-6.1/src/qs_scf_post_gpw.F:3394:15: stride = section_get_ivals(dft_section, "PRINT%ENERGY_WINDOWS%STRIDE") @@ -33775,9 +33809,9 @@ Warning: 'compute_lumos' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf_post_scf.F qs_scf_post_scf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/cp2k-6.1/src/' qs_scf_post_scf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/cp2k-6.1/src/' qs_scf_post_scf.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_scf.F qs_scf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/cp2k-6.1/src/' qs_scf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/cp2k-6.1/src/' qs_scf.F90 /build/cp2k-6.1/src/qs_scf.F:1594:0: alpha = alpha_ls @@ -33794,25 +33828,25 @@ Warning: 'max_scf_tmp' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/domain_submatrix_methods.F domain_submatrix_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/cp2k-6.1/src/' domain_submatrix_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/cp2k-6.1/src/' domain_submatrix_methods.F90 /build/cp2k-6.1/src/domain_submatrix_methods.F:779:0: SUBROUTINE trace_submatrices(A, B, trace) Warning: 'trace_submatrices' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/almo_scf_diis_types.F almo_scf_diis_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/cp2k-6.1/src/' almo_scf_diis_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/cp2k-6.1/src/' almo_scf_diis_types.F90 /build/cp2k-6.1/src/almo_scf_diis_types.F:318:0: diis_env%m_b(idomain)%mdata(in_point+1, irow+1) = trace0 Warning: 'trace0' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ct_types.F ct_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/cp2k-6.1/src/' ct_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/cp2k-6.1/src/' ct_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ct_methods.F ct_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/cp2k-6.1/src/' ct_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/cp2k-6.1/src/' ct_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/almo_scf_qs.F almo_scf_qs.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/cp2k-6.1/src/' almo_scf_qs.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/cp2k-6.1/src/' almo_scf_qs.F90 /build/cp2k-6.1/src/almo_scf_qs.F:124:0: nblkrows_tot, nlength, nmols, row @@ -33839,9 +33873,9 @@ Warning: 'contact_atom_1' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/almo_scf_methods.F almo_scf_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/cp2k-6.1/src/' almo_scf_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/cp2k-6.1/src/' almo_scf_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/almo_scf_optimizer.F almo_scf_optimizer.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/cp2k-6.1/src/' almo_scf_optimizer.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/cp2k-6.1/src/' almo_scf_optimizer.F90 /build/cp2k-6.1/src/almo_scf_optimizer.F:2176:0: SUBROUTINE split_v_blk(almo_scf_env) @@ -33863,32 +33897,32 @@ Warning: 'next_step_size_guess' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/almo_scf.F almo_scf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/cp2k-6.1/src/' almo_scf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/cp2k-6.1/src/' almo_scf.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_methods.F qs_linres_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/cp2k-6.1/src/' qs_linres_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/cp2k-6.1/src/' qs_linres_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_epr_nablavks.F qs_linres_epr_nablavks.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/cp2k-6.1/src/' qs_linres_epr_nablavks.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/cp2k-6.1/src/' qs_linres_epr_nablavks.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_nmr_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_nmr_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_polar_utils.F qs_linres_polar_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_polar_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_polar_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_kpp1_env_methods.F qs_kpp1_env_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/cp2k-6.1/src/' qs_kpp1_env_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/cp2k-6.1/src/' qs_kpp1_env_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_p_env_methods.F qs_p_env_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/cp2k-6.1/src/' qs_p_env_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/cp2k-6.1/src/' qs_p_env_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_current_utils.F qs_linres_current_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_current_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_current_utils.F90 /build/cp2k-6.1/src/qs_linres_current_utils.F:1148:0: state_done(idir, istate_next) = .TRUE. Warning: 'istate_next' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_nmr_epr_common_utils.F qs_linres_nmr_epr_common_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_nmr_epr_common_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_nmr_epr_common_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_epr_ownutils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_epr_ownutils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_nmr_shift.F qs_linres_nmr_shift.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/cp2k-6.1/src/' qs_linres_nmr_shift.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/cp2k-6.1/src/' qs_linres_nmr_shift.F90 /build/cp2k-6.1/src/qs_linres_nmr_shift.F:1008:0: DEALLOCATE (cs_nics_tot) @@ -33900,13 +33934,13 @@ Warning: 'nnics_local' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_epr_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_epr_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_issc_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/cp2k-6.1/src/' qs_linres_issc_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_linres_module.F qs_linres_module.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/cp2k-6.1/src/' qs_linres_module.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/cp2k-6.1/src/' qs_linres_module.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_direct_method.F mp2_direct_method.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/cp2k-6.1/src/' mp2_direct_method.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/cp2k-6.1/src/' mp2_direct_method.F90 /build/cp2k-6.1/src/mp2_direct_method.F:1389:0: BIb_RS_mat_rec(1:dimen, Rsize_rec+1:Rsize_rec+Ssize_rec) @@ -33949,20 +33983,20 @@ Warning: 'global_counter' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_ri_libint.F mp2_ri_libint.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/cp2k-6.1/src/' mp2_ri_libint.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/cp2k-6.1/src/' mp2_ri_libint.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/cp2k-6.1/src/' mp2_optimize_ri_basis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/cp2k-6.1/src/' mp2_optimize_ri_basis.F90 /build/cp2k-6.1/src/mp2_optimize_ri_basis.F:902:0: iset, la Warning: 'la' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_ri_grad_util.F mp2_ri_grad_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/cp2k-6.1/src/' mp2_ri_grad_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/cp2k-6.1/src/' mp2_ri_grad_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/rpa_im_time.F rpa_im_time.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/cp2k-6.1/src/' rpa_im_time.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/cp2k-6.1/src/' rpa_im_time.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_eri.F mp2_eri.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/cp2k-6.1/src/' mp2_eri.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/cp2k-6.1/src/' mp2_eri.F90 /build/cp2k-6.1/src/mp2_eri.F:569:0: sphi_a(:, sgfa:), sphi_b(:, sgfb:), ncoa, ncob, nsgfa, nsgfb) @@ -34242,7 +34276,7 @@ Warning: 'last_jatom' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_ri_gpw.F mp2_ri_gpw.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/cp2k-6.1/src/' mp2_ri_gpw.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/cp2k-6.1/src/' mp2_ri_gpw.F90 /build/cp2k-6.1/src/mp2_ri_gpw.F:3628:0: SUBROUTINE set_identity(fm_matrix_L) @@ -34293,7 +34327,7 @@ Warning: 'MEM[(struct array01_integer(kind=4) &)&sizes_array_orig].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_cphf.F mp2_cphf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/cp2k-6.1/src/' mp2_cphf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/cp2k-6.1/src/' mp2_cphf.F90 /build/cp2k-6.1/src/mp2_cphf.F:1452:0: TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: Ax, Ax_ab, Ax_ba, Ax_bb, xn, xn_b @@ -34311,7 +34345,7 @@ Warning: 'ax_ab.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_ri_grad.F mp2_ri_grad.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/cp2k-6.1/src/' mp2_ri_grad.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/cp2k-6.1/src/' mp2_ri_grad.F90 /build/cp2k-6.1/src/mp2_ri_grad.F:330:0: eri_method=eri_method, pab=G_PQ_local, force_a=force_2c) @@ -34345,17 +34379,17 @@ Warning: 'mo_coeff_v_beta' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/bse.F bse.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse.F\"" -I'/build/cp2k-6.1/src/' bse.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse.F\"" -I'/build/cp2k-6.1/src/' bse.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/rpa_communication.F rpa_communication.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/cp2k-6.1/src/' rpa_communication.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/cp2k-6.1/src/' rpa_communication.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/minimax/minimax_rpa.F minimax_rpa.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/cp2k-6.1/src/minimax/' minimax_rpa.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/cp2k-6.1/src/minimax/' minimax_rpa.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/rpa_axk_util.F rpa_axk_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_axk_util.F\"" -I'/build/cp2k-6.1/src/' rpa_axk_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_axk_util.F\"" -I'/build/cp2k-6.1/src/' rpa_axk_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_laplace.F mp2_laplace.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/cp2k-6.1/src/' mp2_laplace.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/cp2k-6.1/src/' mp2_laplace.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/rpa_ri_gpw.F rpa_ri_gpw.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_ri_gpw.F\"" -I'/build/cp2k-6.1/src/' rpa_ri_gpw.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_ri_gpw.F\"" -I'/build/cp2k-6.1/src/' rpa_ri_gpw.F90 /build/cp2k-6.1/src/rpa_ri_gpw.F:7452:0: SUBROUTINE calc_chi2_im_time(chi2, beta, Sigma_c, vec_tau_fit_gw, num_poles, & @@ -34443,7 +34477,7 @@ Warning: 'tau_wj.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2_gpw.F mp2_gpw.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/cp2k-6.1/src/' mp2_gpw.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/cp2k-6.1/src/' mp2_gpw.F90 /build/cp2k-6.1/src/mp2_gpw.F:1051:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send @@ -34502,7 +34536,7 @@ Warning: 'cutoff_old' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mp2.F mp2.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/cp2k-6.1/src/' mp2.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/cp2k-6.1/src/' mp2.F90 /build/cp2k-6.1/src/mp2.F:1028:0: j_batch_start = my_J_occupied_start-1 @@ -34549,13 +34583,13 @@ note: 'hfx_fraction' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/et_coupling.F et_coupling.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/cp2k-6.1/src/' et_coupling.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/cp2k-6.1/src/' et_coupling.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xas_tp_scf.F xas_tp_scf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/cp2k-6.1/src/' xas_tp_scf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/cp2k-6.1/src/' xas_tp_scf.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xas_methods.F xas_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/cp2k-6.1/src/' xas_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/cp2k-6.1/src/' xas_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt2_subgroups.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt2_subgroups.F90 /build/cp2k-6.1/src/qs_tddfpt2_subgroups.F:179:0: TYPE(mgrid_saved_parameters) :: mgrid_saved @@ -34603,7 +34637,7 @@ note: 'MEM[(struct mgrid_saved_parameters *)&mgrid_saved]' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_tddfpt2_methods.F qs_tddfpt2_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt2_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt2_methods.F90 /build/cp2k-6.1/src/qs_tddfpt2_methods.F:2806:0: weights_recv @@ -34615,13 +34649,13 @@ Warning: 'nexcs' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/et_coupling_proj.F et_coupling_proj.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/cp2k-6.1/src/' et_coupling_proj.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/cp2k-6.1/src/' et_coupling_proj.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_energy_utils.F qs_energy_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/cp2k-6.1/src/' qs_energy_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/cp2k-6.1/src/' qs_energy_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf_curvy.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf_curvy.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dm_ls_chebyshev.F dm_ls_chebyshev.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/cp2k-6.1/src/' dm_ls_chebyshev.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/cp2k-6.1/src/' dm_ls_chebyshev.F90 /build/cp2k-6.1/src/dm_ls_chebyshev.F:363:0: dummy2(iwindow) = dummy2(iwindow)+kernel_g(icheb)*aitchev_T(icheb, iwindow)*chev_T_dos @@ -34639,7 +34673,7 @@ Warning: 'interval_a' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/dm_ls_scf.F dm_ls_scf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/cp2k-6.1/src/' dm_ls_scf.F90 /build/cp2k-6.1/src/dm_ls_scf.F:629:0: extra_scf = maxscf_reached .OR. scf_converged @@ -34647,19 +34681,19 @@ Warning: 'scf_converged' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/dm_ls_scf.F:629:0: Warning: 'maxscf_reached' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/kg_energy_corrections.F kg_energy_corrections.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_energy_corrections.F\"" -I'/build/cp2k-6.1/src/' kg_energy_corrections.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_energy_corrections.F\"" -I'/build/cp2k-6.1/src/' kg_energy_corrections.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_energy.F qs_energy.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/cp2k-6.1/src/' qs_energy.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/cp2k-6.1/src/' qs_energy.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/bsse.F bsse.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/cp2k-6.1/src/' bsse.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/cp2k-6.1/src/' bsse.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/eip_environment.F eip_environment.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/cp2k-6.1/src/' eip_environment.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/cp2k-6.1/src/' eip_environment.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_free_energy.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_free_energy.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/metadynamics_utils.F metadynamics_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/cp2k-6.1/src/' metadynamics_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/cp2k-6.1/src/' metadynamics_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/beta_gamma_psi.F beta_gamma_psi.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/cp2k-6.1/src/' beta_gamma_psi.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/cp2k-6.1/src/' beta_gamma_psi.F90 /build/cp2k-6.1/src/beta_gamma_psi.F:2275:2: 20 f = a*rlog1(-lambda/a) + b*rlog1(lambda/b) @@ -34686,7 +34720,7 @@ Warning: 'bratio' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fp_methods.F fp_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/cp2k-6.1/src/' fp_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/cp2k-6.1/src/' fp_methods.F90 /build/cp2k-6.1/src/fp_methods.F:195:72: tmpstr = cp_iter_string(logger%iter_info, fp_env%print_section) @@ -34698,23 +34732,23 @@ Warning: 'kt' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/rt_propagation_forces.F rt_propagation_forces.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/cp2k-6.1/src/' rt_propagation_forces.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/cp2k-6.1/src/' rt_propagation_forces.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_force.F qs_force.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/cp2k-6.1/src/' qs_force.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/cp2k-6.1/src/' qs_force.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/manybody_eam.F manybody_eam.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/cp2k-6.1/src/' manybody_eam.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/cp2k-6.1/src/' manybody_eam.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/manybody_quip.F manybody_quip.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/cp2k-6.1/src/' manybody_quip.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/cp2k-6.1/src/' manybody_quip.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/manybody_tersoff.F manybody_tersoff.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/cp2k-6.1/src/' manybody_tersoff.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/cp2k-6.1/src/' manybody_tersoff.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/manybody_siepmann.F manybody_siepmann.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/cp2k-6.1/src/' manybody_siepmann.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/cp2k-6.1/src/' manybody_siepmann.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/manybody_potential.F manybody_potential.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/cp2k-6.1/src/' manybody_potential.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/cp2k-6.1/src/' manybody_potential.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_efield_methods.F fist_efield_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/cp2k-6.1/src/' fist_efield_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/cp2k-6.1/src/' fist_efield_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_nonbond_force.F fist_nonbond_force.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/cp2k-6.1/src/' fist_nonbond_force.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/cp2k-6.1/src/' fist_nonbond_force.F90 /build/cp2k-6.1/src/fist_nonbond_force.F:530:0: fcore_nonbond(i, shell_b) = fcore_nonbond(i, shell_b)+fcore_b(i) @@ -34757,11 +34791,11 @@ Warning: 'all_terms' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_pol_scf.F fist_pol_scf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/cp2k-6.1/src/' fist_pol_scf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/cp2k-6.1/src/' fist_pol_scf.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mol_force.F mol_force.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/cp2k-6.1/src/' mol_force.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/cp2k-6.1/src/' mol_force.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_intra_force.F fist_intra_force.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/cp2k-6.1/src/' fist_intra_force.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/cp2k-6.1/src/' fist_intra_force.F90 /build/cp2k-6.1/src/fist_intra_force.F:118:0: REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: pv_a @@ -34785,41 +34819,41 @@ Warning: 'ener_a.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ewalds.F ewalds.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/cp2k-6.1/src/' ewalds.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/cp2k-6.1/src/' ewalds.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pme.F pme.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/cp2k-6.1/src/' pme.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/cp2k-6.1/src/' pme.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_force.F fist_force.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/cp2k-6.1/src/' fist_force.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/cp2k-6.1/src/' fist_force.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmmx_util.F qmmmx_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/cp2k-6.1/src/' qmmmx_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/cp2k-6.1/src/' qmmmx_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_links_methods.F qmmm_links_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/cp2k-6.1/src/' qmmm_links_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/cp2k-6.1/src/' qmmm_links_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mm_collocate_potential.F mm_collocate_potential.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/cp2k-6.1/src/' mm_collocate_potential.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/cp2k-6.1/src/' mm_collocate_potential.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_se_energy.F qmmm_se_energy.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/cp2k-6.1/src/' qmmm_se_energy.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/cp2k-6.1/src/' qmmm_se_energy.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/cp2k-6.1/src/' qmmm_gpw_energy.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/cp2k-6.1/src/' qmmm_gpw_energy.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_se_forces.F qmmm_se_forces.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/cp2k-6.1/src/' qmmm_se_forces.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/cp2k-6.1/src/' qmmm_se_forces.F90 /build/cp2k-6.1/src/qmmm_se_forces.F:208:0: CPASSERT(iqm == number_qm_atoms) Warning: 'iqm' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/cp2k-6.1/src/' qmmm_gpw_forces.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/cp2k-6.1/src/' qmmm_gpw_forces.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_force.F qmmm_force.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/cp2k-6.1/src/' qmmm_force.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/cp2k-6.1/src/' qmmm_force.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmmx_force.F qmmmx_force.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/cp2k-6.1/src/' qmmmx_force.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/cp2k-6.1/src/' qmmmx_force.F90 /build/cp2k-6.1/src/qmmmx_force.F:135:0: mom_conserv_n = COUNT(cur_labels >= mom_conserv_min_label) Warning: 'mom_conserv_min_label' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mixed_cdft_utils.F mixed_cdft_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/cp2k-6.1/src/' mixed_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/cp2k-6.1/src/' mixed_cdft_utils.F90 /build/cp2k-6.1/src/mixed_cdft_utils.F:879:69: mixed_cdft%sub_logger(i)%p%iter_info%project_name = c_val @@ -34860,7 +34894,7 @@ Warning: 'nspins' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/cp2k-6.1/src/' mixed_cdft_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/cp2k-6.1/src/' mixed_cdft_methods.F90 /build/cp2k-6.1/src/mixed_cdft_methods.F:1924:0: CALL dbcsr_create(e_vectors, template=density_matrix_diff(1, 1)%matrix) @@ -35084,29 +35118,29 @@ Warning: 'is_parallel' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/restraint.F restraint.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/cp2k-6.1/src/' restraint.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/cp2k-6.1/src/' restraint.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/eip_silicon.F eip_silicon.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/cp2k-6.1/src/' eip_silicon.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/cp2k-6.1/src/' eip_silicon.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/constraint_util.F constraint_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/cp2k-6.1/src/' constraint_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/cp2k-6.1/src/' constraint_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/simpar_types.F simpar_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/cp2k-6.1/src/' simpar_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/cp2k-6.1/src/' simpar_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/constraint_3x3.F constraint_3x3.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/cp2k-6.1/src/' constraint_3x3.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/cp2k-6.1/src/' constraint_3x3.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/constraint_vsite.F constraint_vsite.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/cp2k-6.1/src/' constraint_vsite.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/cp2k-6.1/src/' constraint_vsite.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/constraint_4x6.F constraint_4x6.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/cp2k-6.1/src/' constraint_4x6.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/cp2k-6.1/src/' constraint_4x6.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/constraint_clv.F constraint_clv.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/cp2k-6.1/src/' constraint_clv.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/cp2k-6.1/src/' constraint_clv.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/constraint.F constraint.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/cp2k-6.1/src/' constraint.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/cp2k-6.1/src/' constraint.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/force_env_utils.F force_env_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/cp2k-6.1/src/' force_env_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/cp2k-6.1/src/' force_env_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/external_potential_methods.F external_potential_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/cp2k-6.1/src/' external_potential_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/cp2k-6.1/src/' external_potential_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/force_env_methods.F force_env_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/cp2k-6.1/src/' force_env_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/cp2k-6.1/src/' force_env_methods.F90 /build/cp2k-6.1/src/force_env_methods.F:608:0: shell_particles%els(i)%r = ref_pos_shell(i, :) @@ -35128,31 +35162,31 @@ Warning: 'cluster_energy' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_qmmm.F input_cp2k_qmmm.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_qmmm.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_qmmm.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_eip.F input_cp2k_eip.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_eip.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_eip.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_mixed.F input_cp2k_mixed.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_mixed.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_mixed.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_resp.F input_cp2k_resp.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_resp.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_resp.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_atprop.F input_cp2k_atprop.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_atprop.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_atprop.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_properties_dft.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_properties_dft.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_embed.F input_cp2k_embed.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_embed.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_embed.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_force_eval.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_force_eval.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_global.F input_cp2k_global.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_global.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_global.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/environment.F environment.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/cp2k-6.1/src/' environment.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/cp2k-6.1/src/' environment.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_read.F input_cp2k_read.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_read.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_read.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_gaussian_data.F qmmm_gaussian_data.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/cp2k-6.1/src/' qmmm_gaussian_data.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/cp2k-6.1/src/' qmmm_gaussian_data.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/cp2k-6.1/src/' qmmm_gaussian_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/cp2k-6.1/src/' qmmm_gaussian_input.F90 /build/cp2k-6.1/src/qmmm_gaussian_input.F:1086:0: qmmm_gaussian_fns(IRad)%pgf%Gk(istart+1:) = qmmm_gaussian_fns(IRad)%pgf%Gk(istart+1:)*rc @@ -35164,63 +35198,63 @@ Warning: 'rc' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_gaussian_init.F qmmm_gaussian_init.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/cp2k-6.1/src/' qmmm_gaussian_init.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/cp2k-6.1/src/' qmmm_gaussian_init.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_per_elpot.F qmmm_per_elpot.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/cp2k-6.1/src/' qmmm_per_elpot.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/cp2k-6.1/src/' qmmm_per_elpot.F90 /build/cp2k-6.1/src/qmmm_per_elpot.F:188:0: LG(idim) = fs*LG(idim)*1.0_dp/Vol Warning: 'fs' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_elpot.F qmmm_elpot.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/cp2k-6.1/src/' qmmm_elpot.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/cp2k-6.1/src/' qmmm_elpot.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_init.F qmmm_init.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/cp2k-6.1/src/' qmmm_init.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/cp2k-6.1/src/' qmmm_init.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/force_fields_ext.F force_fields_ext.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/cp2k-6.1/src/' force_fields_ext.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/cp2k-6.1/src/' force_fields_ext.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/force_fields.F force_fields.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/cp2k-6.1/src/' force_fields.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/cp2k-6.1/src/' force_fields.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_environment.F fist_environment.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/cp2k-6.1/src/' fist_environment.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/cp2k-6.1/src/' fist_environment.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_pw_grid.F qmmm_pw_grid.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/cp2k-6.1/src/' qmmm_pw_grid.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/cp2k-6.1/src/' qmmm_pw_grid.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmm_create.F qmmm_create.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/cp2k-6.1/src/' qmmm_create.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/cp2k-6.1/src/' qmmm_create.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmmx_create.F qmmmx_create.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/cp2k-6.1/src/' qmmmx_create.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/cp2k-6.1/src/' qmmmx_create.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/embed_environment.F embed_environment.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/cp2k-6.1/src/' embed_environment.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/cp2k-6.1/src/' embed_environment.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/embed_main.F embed_main.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/cp2k-6.1/src/' embed_main.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/cp2k-6.1/src/' embed_main.F90 /build/cp2k-6.1/src/embed_main.F:166:68: embed_env%sub_logger(i)%p%iter_info%project_name = c_val 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/fist_main.F fist_main.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/cp2k-6.1/src/' fist_main.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/cp2k-6.1/src/' fist_main.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mixed_environment.F mixed_environment.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/cp2k-6.1/src/' mixed_environment.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/cp2k-6.1/src/' mixed_environment.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mixed_main.F mixed_main.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/cp2k-6.1/src/' mixed_main.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/cp2k-6.1/src/' mixed_main.F90 /build/cp2k-6.1/src/mixed_main.F:166:68: mixed_env%sub_logger(i)%p%iter_info%project_name = c_val 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/f77_interface.F f77_interface.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/cp2k-6.1/src/' f77_interface.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/cp2k-6.1/src/' f77_interface.F90 /build/cp2k-6.1/src/f77_interface.F:1172:0: SUBROUTINE get_vel(env_id, vel, n_el, ierr) Warning: 'get_vel' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/replica_types.F replica_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/cp2k-6.1/src/' replica_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/cp2k-6.1/src/' replica_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/replica_methods.F replica_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/cp2k-6.1/src/' replica_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/cp2k-6.1/src/' replica_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mode_selective.F mode_selective.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/cp2k-6.1/src/' mode_selective.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/cp2k-6.1/src/' mode_selective.F90 /build/cp2k-6.1/src/mode_selective.F:852:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: approx_H, H_save, residuum, tmp_b, tmp_s @@ -35246,7 +35280,7 @@ /build/cp2k-6.1/src/mode_selective.F:119:0: Warning: 'tmp_dip.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/mode_selective.F:119:0: Warning: 'tmp_dip.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/vibrational_analysis.F vibrational_analysis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/cp2k-6.1/src/motion/' vibrational_analysis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/cp2k-6.1/src/motion/' vibrational_analysis.F90 /build/cp2k-6.1/src/motion/vibrational_analysis.F:122:0: REAL(KIND=dp), DIMENSION(:, :), POINTER :: D, dip_deriv, RotTrM @@ -35263,56 +35297,56 @@ /build/cp2k-6.1/src/motion/vibrational_analysis.F:123:0: Warning: 'tmp_dip.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/motion/vibrational_analysis.F:123:0: Warning: 'tmp_dip.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/optimize_basis_types.F optimize_basis_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/cp2k-6.1/src/' optimize_basis_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/cp2k-6.1/src/' optimize_basis_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/optbas_opt_utils.F optbas_opt_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/cp2k-6.1/src/' optbas_opt_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/cp2k-6.1/src/' optbas_opt_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/cp2k-6.1/src/' optbas_fenv_manipulation.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/cp2k-6.1/src/' optbas_fenv_manipulation.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/optimize_basis_utils.F optimize_basis_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/cp2k-6.1/src/' optimize_basis_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/cp2k-6.1/src/' optimize_basis_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/optimize_basis.F optimize_basis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/cp2k-6.1/src/' optimize_basis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/cp2k-6.1/src/' optimize_basis.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mscfg_methods.F mscfg_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/cp2k-6.1/src/' mscfg_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/cp2k-6.1/src/' mscfg_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/gopt_param_types.F gopt_param_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/cp2k-6.1/src/motion/' gopt_param_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/cp2k-6.1/src/motion/' gopt_param_types.F90 /build/cp2k-6.1/src/motion/gopt_param_types.F:171:0: SUBROUTINE gopt_param_retain(gopt_param) Warning: 'gopt_param_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/dimer_types.F dimer_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/cp2k-6.1/src/motion/' dimer_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/cp2k-6.1/src/motion/' dimer_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/cell_opt_utils.F cell_opt_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/cp2k-6.1/src/motion/' cell_opt_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/cp2k-6.1/src/motion/' cell_opt_utils.F90 /build/cp2k-6.1/src/motion/cell_opt_utils.F:150:47: new_logger%iter_info%project_name = c_val 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/cell_opt_types.F cell_opt_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/cp2k-6.1/src/motion/' cell_opt_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/cp2k-6.1/src/motion/' cell_opt_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/gopt_f_types.F gopt_f_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/cp2k-6.1/src/motion/' gopt_f_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/cp2k-6.1/src/motion/' gopt_f_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/dimer_utils.F dimer_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/cp2k-6.1/src/motion/' dimer_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/cp2k-6.1/src/motion/' dimer_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/cg_utils.F cg_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/cp2k-6.1/src/motion/' cg_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/cp2k-6.1/src/motion/' cg_utils.F90 /build/cp2k-6.1/src/motion/cg_utils.F:808:0: IF (ABS(d) .GT. ABS(0.5_dp*olde)) skip0 = .TRUE. Warning: 'e' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/al_system_types.F al_system_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/cp2k-6.1/src/' al_system_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/cp2k-6.1/src/' al_system_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/gle_system_types.F gle_system_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/cp2k-6.1/src/' gle_system_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/cp2k-6.1/src/' gle_system_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/csvr_system_types.F csvr_system_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/cp2k-6.1/src/' csvr_system_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/cp2k-6.1/src/' csvr_system_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/thermostat_types.F thermostat_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' thermostat_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' thermostat_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' thermostat_mapping.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' thermostat_mapping.F90 /build/cp2k-6.1/src/motion/thermostat/thermostat_mapping.F:578:0: ALLOCATE (map_info%s_kin(nsize)) @@ -35345,71 +35379,71 @@ Warning: 'MEM[(struct array01_integer(kind=4) &)&tot_const].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/motion/thermostat/thermostat_mapping.F:99:0: Warning: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' extended_system_mapping.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' extended_system_mapping.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/thermostat_utils.F thermostat_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' thermostat_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' thermostat_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' extended_system_init.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' extended_system_init.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/barostat_types.F barostat_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' barostat_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' barostat_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/free_energy_types.F free_energy_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/cp2k-6.1/src/' free_energy_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/cp2k-6.1/src/' free_energy_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/reftraj_types.F reftraj_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/cp2k-6.1/src/motion/' reftraj_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/cp2k-6.1/src/motion/' reftraj_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/md_ener_types.F md_ener_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/cp2k-6.1/src/motion/' md_ener_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/cp2k-6.1/src/motion/' md_ener_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/averages_types.F averages_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/cp2k-6.1/src/motion/' averages_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/cp2k-6.1/src/motion/' averages_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermal_region_types.F thermal_region_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/cp2k-6.1/src/motion/' thermal_region_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/cp2k-6.1/src/motion/' thermal_region_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/md_environment_types.F md_environment_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/cp2k-6.1/src/motion/' md_environment_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/cp2k-6.1/src/motion/' md_environment_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/helium_types.F helium_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/cp2k-6.1/src/motion/' helium_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/cp2k-6.1/src/motion/' helium_types.F90 /build/cp2k-6.1/src/motion/helium_types.F:366:0: SUBROUTINE helium_destroy_real_arr_ptr(real_arr_p) Warning: 'helium_destroy_real_arr_ptr' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/neb_types.F neb_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/cp2k-6.1/src/motion/' neb_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/cp2k-6.1/src/motion/' neb_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_types.F pint_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/cp2k-6.1/src/motion/' pint_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/cp2k-6.1/src/motion/' pint_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_restart_rng.F input_restart_rng.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/cp2k-6.1/src/' input_restart_rng.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/cp2k-6.1/src/' input_restart_rng.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_restart_force_eval.F input_restart_force_eval.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/cp2k-6.1/src/' input_restart_force_eval.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/cp2k-6.1/src/' input_restart_force_eval.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_staging.F pint_staging.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/cp2k-6.1/src/motion/' pint_staging.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/cp2k-6.1/src/motion/' pint_staging.F90 /build/cp2k-6.1/src/motion/pint_staging.F:100:0: SUBROUTINE staging_retain(staging_env) Warning: 'staging_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_normalmode.F pint_normalmode.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/cp2k-6.1/src/motion/' pint_normalmode.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/cp2k-6.1/src/motion/' pint_normalmode.F90 /build/cp2k-6.1/src/motion/pint_normalmode.F:193:0: SUBROUTINE normalmode_retain(normalmode_env) Warning: 'normalmode_retain' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_transformations.F pint_transformations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/cp2k-6.1/src/motion/' pint_transformations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/cp2k-6.1/src/motion/' pint_transformations.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/cp2k-6.1/src/motion/' input_cp2k_restarts.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/cp2k-6.1/src/motion/' input_cp2k_restarts.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/gopt_f_methods.F gopt_f_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/cp2k-6.1/src/motion/' gopt_f_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/cp2k-6.1/src/motion/' gopt_f_methods.F90 /build/cp2k-6.1/src/motion/gopt_f_methods.F:950:0: INTEGER :: i, iatom, idg, j, natom, nparticle, & Warning: 'idg' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/cg_optimizer.F cg_optimizer.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/cp2k-6.1/src/motion/' cg_optimizer.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/cp2k-6.1/src/motion/' cg_optimizer.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/bfgs_optimizer.F bfgs_optimizer.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/cp2k-6.1/src/motion/' bfgs_optimizer.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/cp2k-6.1/src/motion/' bfgs_optimizer.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/cp_lbfgs.F cp_lbfgs.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/cp2k-6.1/src/motion/' cp_lbfgs.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/cp2k-6.1/src/motion/' cp_lbfgs.F90 /build/cp2k-6.1/src/motion/cp_lbfgs.F:1221:0: tu, wmc, wmp, wmw, zibp @@ -35421,7 +35455,7 @@ Warning: 'tl' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/cp_lbfgs_optimizer_gopt.F cp_lbfgs_optimizer_gopt.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/cp2k-6.1/src/motion/' cp_lbfgs_optimizer_gopt.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/cp2k-6.1/src/motion/' cp_lbfgs_optimizer_gopt.F90 /build/cp2k-6.1/src/motion/cp_lbfgs_optimizer_gopt.F:301:0: SUBROUTINE cp_opt_gopt_retain(optimizer) @@ -35433,11 +35467,11 @@ Warning: 'cp_opt_gopt_get' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/cp_lbfgs_geo.F cp_lbfgs_geo.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/cp2k-6.1/src/motion/' cp_lbfgs_geo.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/cp2k-6.1/src/motion/' cp_lbfgs_geo.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/geo_opt.F geo_opt.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/cp2k-6.1/src/motion/' geo_opt.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/cp2k-6.1/src/motion/' geo_opt.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/optimize_input.F optimize_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/cp2k-6.1/src/' optimize_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/cp2k-6.1/src/' optimize_input.F90 /build/cp2k-6.1/src/optimize_input.F:345:0: CALL set_cell(env_id=new_env_id, new_cell=cell_traj(:,:,i_frame), ierr=ierr) @@ -35449,7 +35483,7 @@ note: 'cell_traj.data' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_public.F pint_public.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/cp2k-6.1/src/motion/' pint_public.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/cp2k-6.1/src/motion/' pint_public.F90 /build/cp2k-6.1/src/motion/pint_public.F:81:0: FUNCTION pint_cog_pos(pint_env) RESULT(cntrd_r) @@ -35461,15 +35495,15 @@ Warning: 'pint_free_part_bead_x' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_io.F pint_io.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/cp2k-6.1/src/motion/' pint_io.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/cp2k-6.1/src/motion/' pint_io.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_pile.F pint_pile.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/cp2k-6.1/src/motion/' pint_pile.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/cp2k-6.1/src/motion/' pint_pile.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' gle_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' gle_system_dynamics.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_piglet.F pint_piglet.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/cp2k-6.1/src/motion/' pint_piglet.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/cp2k-6.1/src/motion/' pint_piglet.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/helium_common.F helium_common.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/cp2k-6.1/src/motion/' helium_common.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/cp2k-6.1/src/motion/' helium_common.F90 /build/cp2k-6.1/src/motion/helium_common.F:1378:0: FUNCTION helium_bead_rij(helium, ia, ib, ja, jb) RESULT(rij) @@ -35531,11 +35565,11 @@ Warning: 'used_indices.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/helium_interactions.F helium_interactions.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/cp2k-6.1/src/motion/' helium_interactions.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/cp2k-6.1/src/motion/' helium_interactions.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/helium_io.F helium_io.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/cp2k-6.1/src/motion/' helium_io.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/cp2k-6.1/src/motion/' helium_io.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/helium_worm.F helium_worm.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/cp2k-6.1/src/motion/' helium_worm.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/cp2k-6.1/src/motion/' helium_worm.F90 /build/cp2k-6.1/src/motion/helium_worm.F:484:0: SUBROUTINE staging_reconstruct(helium, r0, rl, l, r) @@ -35553,15 +35587,15 @@ Warning: '__result_perminv' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/motion/helium_worm.F:1174:0: Warning: '__result_perminv' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/helium_sampling.F helium_sampling.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/cp2k-6.1/src/motion/' helium_sampling.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/cp2k-6.1/src/motion/' helium_sampling.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/helium_methods.F helium_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/cp2k-6.1/src/motion/' helium_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/cp2k-6.1/src/motion/' helium_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_qtb.F pint_qtb.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/cp2k-6.1/src/motion/' pint_qtb.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/cp2k-6.1/src/motion/' pint_qtb.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_gle.F pint_gle.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/cp2k-6.1/src/motion/' pint_gle.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/cp2k-6.1/src/motion/' pint_gle.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/pint_methods.F pint_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/cp2k-6.1/src/motion/' pint_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/cp2k-6.1/src/motion/' pint_methods.F90 /build/cp2k-6.1/src/motion/pint_methods.F:608:0: SUBROUTINE pint_retain(pint_env) @@ -35573,46 +35607,46 @@ Warning: 'pint_test' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_control_types.F negf_control_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/cp2k-6.1/src/' negf_control_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/cp2k-6.1/src/' negf_control_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_subgroup_types.F negf_subgroup_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/cp2k-6.1/src/' negf_subgroup_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/cp2k-6.1/src/' negf_subgroup_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_alloc_types.F negf_alloc_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/cp2k-6.1/src/' negf_alloc_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/cp2k-6.1/src/' negf_alloc_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_atom_map.F negf_atom_map.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/cp2k-6.1/src/' negf_atom_map.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/cp2k-6.1/src/' negf_atom_map.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_matrix_utils.F negf_matrix_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/cp2k-6.1/src/' negf_matrix_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/cp2k-6.1/src/' negf_matrix_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_vectors.F negf_vectors.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/cp2k-6.1/src/' negf_vectors.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/cp2k-6.1/src/' negf_vectors.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_env_types.F negf_env_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/cp2k-6.1/src/' negf_env_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/cp2k-6.1/src/' negf_env_types.F90 /build/cp2k-6.1/src/negf_env_types.F:873:0: IF (imo == 0) THEN Warning: 'imo' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_green_methods.F negf_green_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/cp2k-6.1/src/' negf_green_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/cp2k-6.1/src/' negf_green_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_integr_utils.F negf_integr_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/cp2k-6.1/src/' negf_integr_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/cp2k-6.1/src/' negf_integr_utils.F90 /build/cp2k-6.1/src/negf_integr_utils.F:186:0: PURE FUNCTION get_axis_rotation_angle(a, b) RESULT(phi) Warning: 'get_axis_rotation_angle' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_integr_cc.F negf_integr_cc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/cp2k-6.1/src/' negf_integr_cc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/cp2k-6.1/src/' negf_integr_cc.F90 /build/cp2k-6.1/src/negf_integr_cc.F:400:0: ALLOCATE (cc_env%zdata_cache(nnodes_half)) Warning: 'nnodes_half' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_integr_simpson.F negf_integr_simpson.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/cp2k-6.1/src/' negf_integr_simpson.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/cp2k-6.1/src/' negf_integr_simpson.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_green_cache.F negf_green_cache.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/cp2k-6.1/src/' negf_green_cache.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/cp2k-6.1/src/' negf_green_cache.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/negf_methods.F negf_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/cp2k-6.1/src/' negf_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/cp2k-6.1/src/' negf_methods.F90 /build/cp2k-6.1/src/negf_methods.F:1353:0: gret_gamma_gadv_group @@ -35667,258 +35701,258 @@ note: 'nelectrons_min' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_coulomb_test.F ai_coulomb_test.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_coulomb_test.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_coulomb_test.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/shg_integrals_test.F shg_integrals_test.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/cp2k-6.1/src/' shg_integrals_test.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/cp2k-6.1/src/' shg_integrals_test.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/library_tests.F library_tests.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/cp2k-6.1/src/' library_tests.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/cp2k-6.1/src/' library_tests.F90 /build/cp2k-6.1/src/library_tests.F:941:0: ELSE IF (is_fullspace) THEN Warning: 'is_fullspace' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/glbopt_input.F glbopt_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_input.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/swarm_input.F swarm_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm_input.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_optimize_input.F input_optimize_input.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/cp2k-6.1/src/' input_optimize_input.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/cp2k-6.1/src/' input_optimize_input.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_negf.F input_cp2k_negf.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_negf.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_negf.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/input_cp2k_vib.F input_cp2k_vib.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/cp2k-6.1/src/motion/' input_cp2k_vib.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/cp2k-6.1/src/motion/' input_cp2k_vib.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_thermostats.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_thermostats.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_stati.F tmc_stati.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_stati.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_stati.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/cp2k-6.1/src/tmc/' input_cp2k_tmc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/cp2k-6.1/src/tmc/' input_cp2k_tmc.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_neb.F input_cp2k_neb.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_neb.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_neb.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_constraints.F input_cp2k_constraints.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_constraints.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_constraints.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' input_cp2k_barostats.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' input_cp2k_barostats.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/input_cp2k_md.F input_cp2k_md.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/cp2k-6.1/src/motion/' input_cp2k_md.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/cp2k-6.1/src/motion/' input_cp2k_md.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/start/input_cp2k_motion.F input_cp2k_motion.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/cp2k-6.1/src/start/' input_cp2k_motion.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/cp2k-6.1/src/start/' input_cp2k_motion.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_optimize_basis.F input_optimize_basis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/cp2k-6.1/src/' input_optimize_basis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/cp2k-6.1/src/' input_optimize_basis.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/input_cp2k_atom.F input_cp2k_atom.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_atom.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/cp2k-6.1/src/' input_cp2k_atom.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/start/input_cp2k.F input_cp2k.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/cp2k-6.1/src/start/' input_cp2k.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/cp2k-6.1/src/start/' input_cp2k.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/farming_methods.F farming_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/cp2k-6.1/src/' farming_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/cp2k-6.1/src/' farming_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/cp2k_debug.F cp2k_debug.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/cp2k-6.1/src/' cp2k_debug.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/cp2k-6.1/src/' cp2k_debug.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ipi_driver.F ipi_driver.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/cp2k-6.1/src/' ipi_driver.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/cp2k-6.1/src/' ipi_driver.F90 /build/cp2k-6.1/src/ipi_driver.F:207:0: SUBROUTINE readbuffer_d(psockfd, fdata) Warning: 'readbuffer_d' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/glbopt_history.F glbopt_history.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_history.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_history.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/swarm_message.F swarm_message.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm_message.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm_message.F90 /build/cp2k-6.1/src/swarm/swarm_message.F:261:0: curr_entry => curr_entry%next Warning: 'curr_entry' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/glbopt_minhop.F glbopt_minhop.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_minhop.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_minhop.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/glbopt_mincrawl.F glbopt_mincrawl.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_mincrawl.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_mincrawl.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/glbopt_master.F glbopt_master.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_master.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_master.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/swarm_master.F swarm_master.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm_master.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm_master.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mdctrl_types.F mdctrl_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/cp2k-6.1/src/' mdctrl_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/cp2k-6.1/src/' mdctrl_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/statistical_methods.F statistical_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/cp2k-6.1/src/' statistical_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/cp2k-6.1/src/' statistical_methods.F90 /build/cp2k-6.1/src/statistical_methods.F:445:0: SUBROUTINE tests(xdata, globenv) Warning: 'tests' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/free_energy_methods.F free_energy_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/cp2k-6.1/src/motion/' free_energy_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/cp2k-6.1/src/motion/' free_energy_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' barostat_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' barostat_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/md_conserved_quantities.F md_conserved_quantities.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/cp2k-6.1/src/motion/' md_conserved_quantities.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/cp2k-6.1/src/motion/' md_conserved_quantities.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermal_region_utils.F thermal_region_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/cp2k-6.1/src/motion/' thermal_region_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/cp2k-6.1/src/motion/' thermal_region_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/md_energies.F md_energies.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/cp2k-6.1/src/motion/' md_energies.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/cp2k-6.1/src/motion/' md_energies.F90 /build/cp2k-6.1/src/motion/md_energies.F:361:0: (simpar%v0-cell%deth) Warning: 'pv_xx_nc' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/integrator_utils.F integrator_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/cp2k-6.1/src/motion/' integrator_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/cp2k-6.1/src/motion/' integrator_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/shell_opt.F shell_opt.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/cp2k-6.1/src/motion/' shell_opt.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/cp2k-6.1/src/motion/' shell_opt.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/md_util.F md_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/cp2k-6.1/src/motion/' md_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/cp2k-6.1/src/motion/' md_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/md_vel_utils.F md_vel_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/cp2k-6.1/src/motion/' md_vel_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/cp2k-6.1/src/motion/' md_vel_utils.F90 /build/cp2k-6.1/src/motion/md_vel_utils.F:735:0: rescale_regions, shellvel_explicit, shellvel_read Warning: 'rescale_regions' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/wiener_process.F wiener_process.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/cp2k-6.1/src/motion/' wiener_process.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/cp2k-6.1/src/motion/' wiener_process.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/simpar_methods.F simpar_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/cp2k-6.1/src/motion/' simpar_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/cp2k-6.1/src/motion/' simpar_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/emd/rt_propagation_utils.F rt_propagation_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/cp2k-6.1/src/emd/' rt_propagation_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/cp2k-6.1/src/emd/' rt_propagation_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/emd/rt_propagation_output.F rt_propagation_output.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/cp2k-6.1/src/emd/' rt_propagation_output.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/cp2k-6.1/src/emd/' rt_propagation_output.F90 /build/cp2k-6.1/src/emd/rt_propagation_output.F:728:18: stride = section_get_ivals(dft_section, "REAL_TIME_PROPAGATION%PRINT%CURRENT%STRIDE") 1 Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' extended_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' extended_system_dynamics.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/ls_matrix_exp.F ls_matrix_exp.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/cp2k-6.1/src/' ls_matrix_exp.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/cp2k-6.1/src/' ls_matrix_exp.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/emd/rt_make_propagators.F rt_make_propagators.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/cp2k-6.1/src/emd/' rt_make_propagators.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/cp2k-6.1/src/emd/' rt_make_propagators.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/emd/rt_propagation_methods.F rt_propagation_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/cp2k-6.1/src/emd/' rt_propagation_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/cp2k-6.1/src/emd/' rt_propagation_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qmmmx_update.F qmmmx_update.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/cp2k-6.1/src/' qmmmx_update.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/cp2k-6.1/src/' qmmmx_update.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/metadynamics.F metadynamics.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/cp2k-6.1/src/' metadynamics.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/cp2k-6.1/src/' metadynamics.F90 /build/cp2k-6.1/src/metadynamics.F:337:0: REAL(kind=dp) :: check_val, diff_ss, dt, ekin_w, fac_t, & Warning: 'check_val' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' al_system_mapping.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' al_system_mapping.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/al_system_init.F al_system_init.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' al_system_init.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' al_system_init.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' al_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' al_system_dynamics.F90 /build/cp2k-6.1/src/motion/thermostat/al_system_dynamics.F:292:0: map_info%v_scale(imap) = 1.0_dp Warning: 'imap' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/csvr_system_utils.F csvr_system_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/cp2k-6.1/src/' csvr_system_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/cp2k-6.1/src/' csvr_system_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' csvr_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' csvr_system_dynamics.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' csvr_system_mapping.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' csvr_system_mapping.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' csvr_system_init.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' csvr_system_init.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' thermostat_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/cp2k-6.1/src/motion/thermostat/' thermostat_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/reftraj_util.F reftraj_util.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/cp2k-6.1/src/motion/' reftraj_util.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/cp2k-6.1/src/motion/' reftraj_util.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/integrator.F integrator.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/cp2k-6.1/src/motion/' integrator.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/cp2k-6.1/src/motion/' integrator.F90 /build/cp2k-6.1/src/motion/integrator.F:398:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: v_old Warning: 'v_old.dim[1].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/velocity_verlet_control.F velocity_verlet_control.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/cp2k-6.1/src/motion/' velocity_verlet_control.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/cp2k-6.1/src/motion/' velocity_verlet_control.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/emd/rt_hfx_utils.F rt_hfx_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/cp2k-6.1/src/emd/' rt_hfx_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/cp2k-6.1/src/emd/' rt_hfx_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/emd/rt_delta_pulse.F rt_delta_pulse.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/cp2k-6.1/src/emd/' rt_delta_pulse.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/cp2k-6.1/src/emd/' rt_delta_pulse.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/emd/rt_propagator_init.F rt_propagator_init.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/cp2k-6.1/src/emd/' rt_propagator_init.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/cp2k-6.1/src/emd/' rt_propagator_init.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/rt_propagation.F rt_propagation.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/cp2k-6.1/src/motion/' rt_propagation.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/cp2k-6.1/src/motion/' rt_propagation.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/glbopt_callback.F glbopt_callback.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/cp2k-6.1/src/motion/' glbopt_callback.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/cp2k-6.1/src/motion/' glbopt_callback.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mdctrl_methods.F mdctrl_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/cp2k-6.1/src/motion/' mdctrl_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/cp2k-6.1/src/motion/' mdctrl_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/md_run.F md_run.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/cp2k-6.1/src/motion/' md_run.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/cp2k-6.1/src/motion/' md_run.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/glbopt_worker.F glbopt_worker.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_worker.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/cp2k-6.1/src/swarm/' glbopt_worker.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/swarm_worker.F swarm_worker.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm_worker.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm_worker.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/swarm_mpi.F swarm_mpi.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm_mpi.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm_mpi.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/swarm/swarm.F swarm.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/cp2k-6.1/src/swarm/' swarm.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_tree_types.F tmc_tree_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_tree_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_tree_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_move_types.F tmc_move_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_move_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_move_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_types.F tmc_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_analysis_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_analysis_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_move_handle.F tmc_move_handle.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_move_handle.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_move_handle.F90 /build/cp2k-6.1/src/tmc/tmc_move_handle.F:78:0: INTEGER :: i, i_rep, i_tmp, ind, n_items, & Warning: 'ind' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_calculations.F tmc_calculations.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_calculations.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_calculations.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_file_io.F tmc_file_io.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_file_io.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_file_io.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_dot_tree.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_dot_tree.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_cancelation.F tmc_cancelation.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_cancelation.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_cancelation.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_tree_references.F tmc_tree_references.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_tree_references.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_tree_references.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_tree_search.F tmc_tree_search.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_tree_search.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_tree_search.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_moves.F tmc_moves.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_moves.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_moves.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_tree_build.F tmc_tree_build.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_tree_build.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_tree_build.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_tree_acceptance.F tmc_tree_acceptance.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_tree_acceptance.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_tree_acceptance.F90 /build/cp2k-6.1/src/tmc/tmc_tree_acceptance.F:398:0: IF (parent_ready) THEN Warning: 'parent_ready' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_messages.F tmc_messages.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_messages.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_messages.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_master.F tmc_master.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_master.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_master.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_analysis.F tmc_analysis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_analysis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_analysis.F90 /build/cp2k-6.1/src/tmc/tmc_analysis.F:1194:0: voldr*ana_env%pair_correl%pairs(pair)%pair_count/vol) Warning: 'voldr' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_worker.F tmc_worker.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_worker.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_worker.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_setup.F tmc_setup.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_setup.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_setup.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/mc_types.F mc_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/mc_environment_types.F mc_environment_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_environment_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_environment_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/mc_coordinates.F mc_coordinates.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_coordinates.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_coordinates.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/mc_moves.F mc_moves.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_moves.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_moves.F90 /build/cp2k-6.1/src/motion/mc/mc_moves.F:2504:0: REAL(KIND=dp) :: BETA, bias_energy_new, bias_energy_old, & @@ -35930,18 +35964,18 @@ Warning: 'bias_energy_old' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/mc_misc.F mc_misc.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_misc.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_misc.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/mc_control.F mc_control.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_control.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_control.F90 /build/cp2k-6.1/src/motion/mc/mc_control.F:290:54: atom_symbols(iunit) = atom_names(iunit, 1) 1 Warning: CHARACTER expression will be truncated in assignment (5/80) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/mc_move_control.F mc_move_control.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_move_control.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_move_control.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/mc_ge_moves.F mc_ge_moves.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_ge_moves.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_ge_moves.F90 /build/cp2k-6.1/src/motion/mc/mc_ge_moves.F:450:0: insert_box, ipart, itype, jbox, molecule_type, nmol_types, nswapmoves, print_level, & @@ -35953,34 +35987,34 @@ Warning: 'test_env_bias.data' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/mc_ensembles.F mc_ensembles.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_ensembles.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_ensembles.F90 /build/cp2k-6.1/src/motion/mc/mc_ensembles.F:142:0: start_atom, start_atom_swap, start_atom_target, start_mol Warning: 'start_mol' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/mc_run.F mc_run.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_run.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/cp2k-6.1/src/motion/mc/' mc_run.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/mc/tamc_run.F tamc_run.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/cp2k-6.1/src/motion/mc/' tamc_run.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/cp2k-6.1/src/motion/mc/' tamc_run.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/cell_opt.F cell_opt.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/cp2k-6.1/src/motion/' cell_opt.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/cp2k-6.1/src/motion/' cell_opt.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/neb_md_utils.F neb_md_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/cp2k-6.1/src/motion/' neb_md_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/cp2k-6.1/src/motion/' neb_md_utils.F90 /build/cp2k-6.1/src/motion/neb_md_utils.F:76:0: INTEGER :: iatom, ivar, k, natom, nparticle, nvar Warning: 'nvar' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/neb_io.F neb_io.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/cp2k-6.1/src/motion/' neb_io.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/cp2k-6.1/src/motion/' neb_io.F90 /build/cp2k-6.1/src/motion/neb_io.F:428:55: logger%iter_info%project_name = replica_proj_name 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/neb_utils.F neb_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/cp2k-6.1/src/motion/' neb_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/cp2k-6.1/src/motion/' neb_utils.F90 /build/cp2k-6.1/src/motion/neb_utils.F:382:0: REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: tangent, tmp_a, tmp_b @@ -35988,27 +36022,27 @@ Warning: 'tmp_a.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/src/motion/neb_utils.F:382:0: Warning: 'tmp_b.dim[0].ubound' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/neb_opt_utils.F neb_opt_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/cp2k-6.1/src/motion/' neb_opt_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/cp2k-6.1/src/motion/' neb_opt_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/neb_methods.F neb_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/cp2k-6.1/src/motion/' neb_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/cp2k-6.1/src/motion/' neb_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_basis.F atom_basis.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/cp2k-6.1/src/' atom_basis.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/cp2k-6.1/src/' atom_basis.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_admm_methods.F atom_admm_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/cp2k-6.1/src/' atom_admm_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/cp2k-6.1/src/' atom_admm_methods.F90 /build/cp2k-6.1/src/atom_admm_methods.F:212:0: IF (rhf) THEN Warning: 'rhf' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_grb.F atom_grb.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/cp2k-6.1/src/' atom_grb.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/cp2k-6.1/src/' atom_grb.F90 /build/cp2k-6.1/src/atom_grb.F:266:0: state%occupation(lhomo, nhomo) = fhomo+dene Warning: 'fhomo' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_energy.F atom_energy.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/cp2k-6.1/src/' atom_energy.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/cp2k-6.1/src/' atom_energy.F90 /build/cp2k-6.1/src/atom_energy.F:523:0: state%occupation(lhomo, nhomo) = fhomo+dene @@ -36020,30 +36054,30 @@ note: 'fhomo' was declared here /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom_pseudo.F atom_pseudo.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/cp2k-6.1/src/' atom_pseudo.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/cp2k-6.1/src/' atom_pseudo.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/atom.F atom.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/cp2k-6.1/src/' atom.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/cp2k-6.1/src/' atom.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_tddfpt_types.F qs_tddfpt_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt_types.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_tddfpt_utils.F qs_tddfpt_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt_utils.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt_eigensolver.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt_eigensolver.F90 /build/cp2k-6.1/src/qs_tddfpt_eigensolver.F:445:0: IF (mode == 'L') THEN Warning: 'mode[1]{lb: 1 sz: 1}' may be used uninitialized in this function [-Wmaybe-uninitialized] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/xc_pot_saop.F xc_pot_saop.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/cp2k-6.1/src/' xc_pot_saop.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/cp2k-6.1/src/' xc_pot_saop.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/qs_tddfpt_module.F qs_tddfpt_module.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt_module.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/cp2k-6.1/src/' qs_tddfpt_module.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/start/cp2k_runs.F cp2k_runs.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/cp2k-6.1/src/start/' cp2k_runs.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/cp2k-6.1/src/start/' cp2k_runs.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/start/cp2k.F cp2k.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/cp2k-6.1/src/start/' cp2k.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/cp2k-6.1/src/start/' cp2k.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/start/libcp2k.F libcp2k.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/cp2k-6.1/src/start/' libcp2k.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/cp2k-6.1/src/start/' libcp2k.F90 Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kstart.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kstart.a Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kmc.a @@ -36051,9 +36085,9 @@ Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kswarm.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kswarm.a /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/dimer_methods.F dimer_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/cp2k-6.1/src/motion/' dimer_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/cp2k-6.1/src/motion/' dimer_methods.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/motion/gopt_f77_methods.F gopt_f77_methods.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/cp2k-6.1/src/motion/' gopt_f77_methods.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/cp2k-6.1/src/motion/' gopt_f77_methods.F90 Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kmotion.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kmotion.a Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kthermostat.a @@ -36061,27 +36095,27 @@ Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kemd.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kemd.a /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/tmc/tmc_utils.F tmc_utils.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_utils.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/cp2k-6.1/src/tmc/' tmc_utils.F90 Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2ktmc.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2ktmc.a /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/semi_empirical_int_debug.F semi_empirical_int_debug.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_debug.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/cp2k-6.1/src/' semi_empirical_int_debug.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/mao_types.F mao_types.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/cp2k-6.1/src/' mao_types.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/cp2k-6.1/src/' mao_types.F90 /build/cp2k-6.1/src/mao_types.F:36:0: SUBROUTINE create_mao_type(mao_env) Warning: 'create_mao_type' defined but not used [-Wunused-function] /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/pilaenv_hack.F pilaenv_hack.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/cp2k-6.1/src/' pilaenv_hack.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/cp2k-6.1/src/' pilaenv_hack.F90 mpicc -c -g -O2 -ffile-prefix-map=/build/cp2k-6.1=. -fstack-protector-strong -Wformat -Werror=format-security /build/cp2k-6.1/src/sockets.c Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kmain.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kmain.a /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/grid/xyz_to_vab_optimised.F xyz_to_vab_optimised.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/xyz_to_vab_optimised.F\"" -I'/build/cp2k-6.1/src/grid/' xyz_to_vab_optimised.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/xyz_to_vab_optimised.F\"" -I'/build/cp2k-6.1/src/grid/' xyz_to_vab_optimised.F90 /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/grid/grid_fast.F grid_fast.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_fast.F\"" -I'/build/cp2k-6.1/src/grid/' grid_fast.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_fast.F\"" -I'/build/cp2k-6.1/src/grid/' grid_fast.F90 Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kgrid.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kgrid.a Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libdbcsrarnoldi.a @@ -36101,7 +36135,7 @@ Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kxc.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kxc.a /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/aobasis/ai_eri_debug.F ai_eri_debug.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_eri_debug.F90 +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/cp2k-6.1/src/aobasis/' ai_eri_debug.F90 /build/cp2k-6.1/src/aobasis/ai_eri_debug.F:54:0: SUBROUTINE init_os(ya, yb, yc, yd, rA, rB, rC, rD) @@ -36117,20 +36151,20 @@ ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kfft.a Updating archive /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kfm.a ar: creating /build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt/libcp2kfm.a -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/cp2k.popt cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kdbcsr_tensor -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/cp2k.popt cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kdbcsr_tensor -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/cp2k-6.1/tools/build_utils/fypp -n /build/cp2k-6.1/src/start/cp2k_shell.F cp2k_shell.F90 -mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/cp2k-6.1/src/start/' cp2k_shell.F90 -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/cp2k_shell.popt cp2k_shell.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kdbcsr_tensor -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -c -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/cp2k-6.1/src/start/' cp2k_shell.F90 +gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/cp2k_shell.popt cp2k_shell.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kdbcsr_tensor -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa mpicc -c -g -O2 -ffile-prefix-map=/build/cp2k-6.1=. -fstack-protector-strong -Wformat -Werror=format-security /build/cp2k-6.1/src/start/libcp2k_unittest.c -gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Feb 17 15:59:37 -12 2022\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/libcp2k_unittest.popt libcp2k_unittest.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kdbcsr_tensor -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa +gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=201605 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sat Jan 16 12:48:35 +14 2021\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/cp2k-6.1/lib/Linux-x86_64-gfortran/popt -o /build/cp2k-6.1/exe/Linux-x86_64-gfortran/libcp2k_unittest.popt libcp2k_unittest.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kdbcsr_tensor -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -llapack -lblas -lfftw3 /usr/lib/libderiv.a /usr/lib/libint.a -lxc -lxcf03 $(pkg-config mpi-fort --libs) -lscalapack-openmpi -lscalapack-openmpi -lelpa make[2]: Leaving directory '/build/cp2k-6.1/makefiles' (cd tools/manual; /build/cp2k-6.1/exe/*/cp2k.popt --xml) -------------------------------------------------------------------------- -[[47544,1],0]: A high-performance Open MPI point-to-point messaging module +[[46384,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -36191,13 +36225,13 @@ -restrictdir TAMC/regtest ) ./do_regtest: line 662: ps: command not found *************************** testing started ****************************** - started on Thu Feb 17 16:38:48 -12 2022 - checking version 2022-02-17T16:38:48-12:00 + started on Sat Jan 16 14:01:46 +14 2021 + checking version 2021-01-16T14:01:46+14:00 configuration: Linux-x86_64-gfortran-popt - regtesting location summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/summary.txt - regtesting location error_summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/error_summary - regtesting location memory_summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/memory_summary - regtesting location output dir: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48 + regtesting location summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/summary.txt + regtesting location error_summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/error_summary + regtesting location memory_summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/memory_summary + regtesting location output dir: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46 regtesting location last dir: /build/cp2k-6.1/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-popt ---------------------------- Settings ------------------------------------ maxtasks = 1 @@ -36221,7 +36255,7 @@ do_unit_test = yes farming = no maxbuildtasks = 1 -svndate = 2022-02-17T16:38:48-12:00 +svndate = 2021-01-16T14:01:46+14:00 restrict_dirs = ATOM/regtest-2 restrict_dirs = DFTB/regtest-nonscc restrict_dirs = FARMING/regtest-1 @@ -36275,37 +36309,37 @@ ------------------------ regtesting cp2k --------------------------------- ------------------------- dynamic libraries linked ----------------------- ldd /build/cp2k-6.1/tools/regtesting/../..///exe/Linux-x86_64-gfortran/cp2k.popt : - linux-vdso.so.1 (0x00007ffeb1bfc000) - liblapack.so.3 => /usr/lib/x86_64-linux-gnu/liblapack.so.3 (0x00007fe1e5230000) - libblas.so.3 => /usr/lib/x86_64-linux-gnu/libblas.so.3 (0x00007fe1e51c0000) - libfftw3.so.3 => /usr/lib/x86_64-linux-gnu/libfftw3.so.3 (0x00007fe1e4fb8000) - libxc.so.5 => /usr/lib/x86_64-linux-gnu/libxc.so.5 (0x00007fe1e4970000) - libxcf03.so.5 => /usr/lib/x86_64-linux-gnu/libxcf03.so.5 (0x00007fe1e4968000) - libmpi_usempif08.so.40 => /usr/lib/x86_64-linux-gnu/libmpi_usempif08.so.40 (0x00007fe1e4928000) - libmpi_usempi_ignore_tkr.so.40 => /usr/lib/x86_64-linux-gnu/libmpi_usempi_ignore_tkr.so.40 (0x00007fe1e4918000) - libmpi_mpifh.so.40 => /usr/lib/x86_64-linux-gnu/libmpi_mpifh.so.40 (0x00007fe1e48b8000) - libmpi.so.40 => /usr/lib/x86_64-linux-gnu/libmpi.so.40 (0x00007fe1e47a8000) - libscalapack-openmpi.so.2.0 => /usr/lib/x86_64-linux-gnu/libscalapack-openmpi.so.2.0 (0x00007fe1e41d0000) - libelpa.so.4 => /usr/lib/x86_64-linux-gnu/libelpa.so.4 (0x00007fe1e4178000) - libgfortran.so.5 => /usr/lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007fe1e3f08000) - libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007fe1e3d80000) - libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007fe1e3d60000) - libquadmath.so.0 => /usr/lib/x86_64-linux-gnu/libquadmath.so.0 (0x00007fe1e3d18000) - libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007fe1e3b50000) - librt.so.1 => /lib/x86_64-linux-gnu/librt.so.1 (0x00007fe1e3b40000) - libutil.so.1 => /lib/x86_64-linux-gnu/libutil.so.1 (0x00007fe1e3b38000) - libz.so.1 => /lib/x86_64-linux-gnu/libz.so.1 (0x00007fe1e3918000) - libhwloc.so.5 => /usr/lib/x86_64-linux-gnu/libhwloc.so.5 (0x00007fe1e38d0000) - libevent-2.1.so.6 => /usr/lib/x86_64-linux-gnu/libevent-2.1.so.6 (0x00007fe1e3678000) - libevent_pthreads-2.1.so.6 => /usr/lib/x86_64-linux-gnu/libevent_pthreads-2.1.so.6 (0x00007fe1e3470000) - libpthread.so.0 => /lib/x86_64-linux-gnu/libpthread.so.0 (0x00007fe1e3448000) - libopen-pal.so.40 => /usr/lib/x86_64-linux-gnu/libopen-pal.so.40 (0x00007fe1e3398000) - libdl.so.2 => /lib/x86_64-linux-gnu/libdl.so.2 (0x00007fe1e3390000) - libopen-rte.so.40 => /usr/lib/x86_64-linux-gnu/libopen-rte.so.40 (0x00007fe1e32d8000) - libstdc++.so.6 => /usr/lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007fe1e3150000) - /lib64/ld-linux-x86-64.so.2 (0x00007fe1e8848000) - libnuma.so.1 => /usr/lib/x86_64-linux-gnu/libnuma.so.1 (0x00007fe1e3140000) - libltdl.so.7 => /usr/lib/x86_64-linux-gnu/libltdl.so.7 (0x00007fe1e3130000) + linux-vdso.so.1 (0x00007ffdad9b3000) + liblapack.so.3 => /usr/lib/x86_64-linux-gnu/liblapack.so.3 (0x00007f99134c0000) + libblas.so.3 => /usr/lib/x86_64-linux-gnu/libblas.so.3 (0x00007f9913450000) + libfftw3.so.3 => /usr/lib/x86_64-linux-gnu/libfftw3.so.3 (0x00007f9913248000) + libxc.so.5 => /usr/lib/x86_64-linux-gnu/libxc.so.5 (0x00007f9912c00000) + libxcf03.so.5 => /usr/lib/x86_64-linux-gnu/libxcf03.so.5 (0x00007f9912bf8000) + libmpi_usempif08.so.40 => /usr/lib/x86_64-linux-gnu/libmpi_usempif08.so.40 (0x00007f9912bb8000) + libmpi_usempi_ignore_tkr.so.40 => /usr/lib/x86_64-linux-gnu/libmpi_usempi_ignore_tkr.so.40 (0x00007f9912ba8000) + libmpi_mpifh.so.40 => /usr/lib/x86_64-linux-gnu/libmpi_mpifh.so.40 (0x00007f9912b48000) + libmpi.so.40 => /usr/lib/x86_64-linux-gnu/libmpi.so.40 (0x00007f9912a38000) + libscalapack-openmpi.so.2.0 => /usr/lib/x86_64-linux-gnu/libscalapack-openmpi.so.2.0 (0x00007f9912460000) + libelpa.so.4 => /usr/lib/x86_64-linux-gnu/libelpa.so.4 (0x00007f9912408000) + libgfortran.so.5 => /usr/lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007f9912198000) + libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f9912010000) + libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f9911ff0000) + libquadmath.so.0 => /usr/lib/x86_64-linux-gnu/libquadmath.so.0 (0x00007f9911fa8000) + libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f9911de0000) + librt.so.1 => /lib/x86_64-linux-gnu/librt.so.1 (0x00007f9911dd0000) + libutil.so.1 => /lib/x86_64-linux-gnu/libutil.so.1 (0x00007f9911dc8000) + libz.so.1 => /lib/x86_64-linux-gnu/libz.so.1 (0x00007f9911ba8000) + libhwloc.so.5 => /usr/lib/x86_64-linux-gnu/libhwloc.so.5 (0x00007f9911b60000) + libevent-2.1.so.6 => /usr/lib/x86_64-linux-gnu/libevent-2.1.so.6 (0x00007f9911908000) + libevent_pthreads-2.1.so.6 => /usr/lib/x86_64-linux-gnu/libevent_pthreads-2.1.so.6 (0x00007f9911700000) + libpthread.so.0 => /lib/x86_64-linux-gnu/libpthread.so.0 (0x00007f99116d8000) + libopen-pal.so.40 => /usr/lib/x86_64-linux-gnu/libopen-pal.so.40 (0x00007f9911628000) + libdl.so.2 => /lib/x86_64-linux-gnu/libdl.so.2 (0x00007f9911620000) + libopen-rte.so.40 => /usr/lib/x86_64-linux-gnu/libopen-rte.so.40 (0x00007f9911568000) + libstdc++.so.6 => /usr/lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007f99113e0000) + /lib64/ld-linux-x86-64.so.2 (0x00007f9916ad8000) + libnuma.so.1 => /usr/lib/x86_64-linux-gnu/libnuma.so.1 (0x00007f99113d0000) + libltdl.so.7 => /usr/lib/x86_64-linux-gnu/libltdl.so.7 (0x00007f99113c0000) -------------------------------------------------------------------------- Copying tests into working directory ... done! CP2K supports: cp2kflags: libint fftw3 libxc elpa=201605 elpa_qr parallel mpi3 scalapack libderiv_max_am1=5 libint_max_am=6 @@ -36319,7 +36353,7 @@ Skipping TMC/regtest_ana_post_proc : missing required feature : mpiranks>1 Skipping Fist/regtest-quip : missing required feature : quip Skipping Fist/regtest-plumed2 : missing required feature : plumed2 -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-mp2-grad (1 of 44) +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-mp2-grad (1 of 44) Running H2O_grad_mme.inp Running H2O_grad_gpw.inp Running H2_H2_no_freeHFX.inp @@ -36328,17 +36362,17 @@ Running CH3_dyn_screen.inp Running MOM_MP2_geoopt.inp Running H2O_MD_mme.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-mp2-grad - H2O_grad_mme.inp -17.082601806599005 OK ( 17.33 sec) - H2O_grad_gpw.inp -17.082584774679514 OK ( 37.70 sec) - H2_H2_no_freeHFX.inp -2.307711033963881 OK ( 7.87 sec) - O2_dyn.inp -31.653804574524706 OK ( 40.81 sec) - O2_dyn_mme.inp 0.62545274 OK ( 21.69 sec) - CH3_dyn_screen.inp -6.789974762227123 OK ( 74.91 sec) - MOM_MP2_geoopt.inp -16.795829119533924 OK ( 79.66 sec) - H2O_MD_mme.inp -17.056807611536033 OK ( 13.96 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-mp2-grad (1 of 44) done in 303.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-ri-rpa (2 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-mp2-grad + H2O_grad_mme.inp -17.082601806599005 OK ( 43.90 sec) + H2O_grad_gpw.inp -17.082584774679514 OK ( 151.91 sec) + H2_H2_no_freeHFX.inp -2.307711033963881 OK ( 36.28 sec) + O2_dyn.inp -31.653804574524706 OK ( 151.09 sec) + O2_dyn_mme.inp 0.62545274 OK ( 54.02 sec) + CH3_dyn_screen.inp -6.789974762227123 OK ( 191.09 sec) + MOM_MP2_geoopt.inp -16.795829119533924 OK ( 266.62 sec) + H2O_MD_mme.inp -17.056807611536033 OK ( 41.01 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-mp2-grad (1 of 44) done in 956.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-ri-rpa (2 of 44) Running RI_RPA_H2O.inp Running RI_RPA_H2O_overlap_metric.inp Running RI_RPA_CH3.inp @@ -36349,19 +36383,19 @@ Running RI_RPA_H2O_PBE0.inp Running RI_RPA_H2O_PBE0_ADMM1.inp Running RI_RPA_H2O_Obara_Saika.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-ri-rpa - RI_RPA_H2O.inp -17.160124539934642 OK ( 24.65 sec) - RI_RPA_H2O_overlap_metric.inp -17.159915456244072 OK ( 22.17 sec) - RI_RPA_CH3.inp -7.416548172697861 OK ( 32.77 sec) - RI_RPA_H2O_SYRK.inp -17.160124539934642 OK ( 25.44 sec) - RI_RPA_minimax_H_atom.inp -0.510122901484638 OK ( 5.00 sec) - RI_RPA_H2O_minimax.inp -17.160123825539969 OK ( 25.03 sec) - RI_RPA_H2O_im_time_minimax.inp -17.160043265156389 OK ( 5.01 sec) - RI_RPA_H2O_PBE0.inp -17.137291323422954 OK ( 25.84 sec) - RI_RPA_H2O_PBE0_ADMM1.inp -17.139647828521671 OK ( 32.33 sec) - RI_RPA_H2O_Obara_Saika.inp -17.160204463746194 OK ( 4.79 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-ri-rpa (2 of 44) done in 213.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-tddfpt (3 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-ri-rpa + RI_RPA_H2O.inp -17.160124539934642 OK ( 98.01 sec) + RI_RPA_H2O_overlap_metric.inp -17.159915456244072 OK ( 80.88 sec) + RI_RPA_CH3.inp -7.416548172697861 OK ( 91.95 sec) + RI_RPA_H2O_SYRK.inp -17.160124539934642 OK ( 52.01 sec) + RI_RPA_minimax_H_atom.inp -0.510122901484638 OK ( 7.20 sec) + RI_RPA_H2O_minimax.inp -17.160123825539969 OK ( 48.74 sec) + RI_RPA_H2O_im_time_minimax.inp -17.160043265156389 OK ( 9.56 sec) + RI_RPA_H2O_PBE0.inp -17.137291323422954 OK ( 44.15 sec) + RI_RPA_H2O_PBE0_ADMM1.inp -17.139647828521671 OK ( 68.96 sec) + RI_RPA_H2O_Obara_Saika.inp -17.160204463746194 OK ( 14.33 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-ri-rpa (2 of 44) done in 536.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-tddfpt (3 of 44) Running H2O_tddfpt-s-1.inp Running H2O_tddfpt-t-1.inp Running NO_tddfpt-s-1.inp @@ -36373,20 +36407,20 @@ Running H2O_tddfpt-t-3.inp Running NO_tddfpt-s-3.inp Running NO_tddfpt-t-3.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-tddfpt - H2O_tddfpt-s-1.inp 0.604250E+00 OK ( 2.81 sec) - H2O_tddfpt-t-1.inp 0.300284E+00 OK ( 3.44 sec) - NO_tddfpt-s-1.inp 0.399639E+00 OK ( 11.30 sec) - NO_tddfpt-t-1.inp 0.375289E+00 OK ( 11.43 sec) - H2O_tddfpt-s-2.inp 0.547986E+00 OK ( 2.46 sec) - H2O_tddfpt-t-2.inp 0.548674E+00 OK ( 3.39 sec) - NO_tddfpt-t-2.inp 0.409701E+00 OK ( 11.10 sec) - H2O_tddfpt-s-3.inp 0.549866E+00 OK ( 2.21 sec) - H2O_tddfpt-t-3.inp 0.588369E+00 OK ( 3.23 sec) - NO_tddfpt-s-3.inp 0.504788E+00 OK ( 7.71 sec) - NO_tddfpt-t-3.inp 0.443382E+00 OK ( 11.16 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-tddfpt (3 of 44) done in 82.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-libxc (4 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-tddfpt + H2O_tddfpt-s-1.inp 0.604250E+00 OK ( 5.91 sec) + H2O_tddfpt-t-1.inp 0.300284E+00 OK ( 7.47 sec) + NO_tddfpt-s-1.inp 0.399639E+00 OK ( 21.93 sec) + NO_tddfpt-t-1.inp 0.375289E+00 OK ( 26.54 sec) + H2O_tddfpt-s-2.inp 0.547986E+00 OK ( 5.86 sec) + H2O_tddfpt-t-2.inp 0.548674E+00 OK ( 5.62 sec) + NO_tddfpt-t-2.inp 0.409701E+00 OK ( 23.34 sec) + H2O_tddfpt-s-3.inp 0.549866E+00 OK ( 5.40 sec) + H2O_tddfpt-t-3.inp 0.588369E+00 OK ( 9.17 sec) + NO_tddfpt-s-3.inp 0.504788E+00 OK ( 14.45 sec) + NO_tddfpt-t-3.inp 0.443382E+00 OK ( 17.14 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-tddfpt (3 of 44) done in 169.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-libxc (4 of 44) Running H2O-hybrid-b3lyp_libxc_uks.inp Running H2O_pbe_libxc_tddfpt-s.inp Running H2O_lda_libxc_tddfpt-s.inp @@ -36396,18 +36430,18 @@ Running H2O-tpssx_libxc.inp Running diamond_br89_libxc_uks.inp Running diamond_br89_libxc.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-libxc - H2O-hybrid-b3lyp_libxc_uks.inp -76.41035425153640 OK ( 5.16 sec) - H2O_pbe_libxc_tddfpt-s.inp -17.23116251469144 OK ( 3.25 sec) - H2O_lda_libxc_tddfpt-s.inp -17.13289833454144 OK ( 2.59 sec) - H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251473398 OK ( 6.30 sec) - H2O-hybrid-b3lyp_libxc.inp -76.41035425153640 OK ( 3.81 sec) - H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833454527 OK ( 5.07 sec) - H2O-tpssx_libxc.inp -33.88300963207840 OK ( 3.30 sec) - diamond_br89_libxc_uks.inp -11.06581602231709 OK ( 40.07 sec) - diamond_br89_libxc.inp -11.06581602231708 OK ( 20.06 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-libxc (4 of 44) done in 99.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hfx-periodic (5 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-libxc + H2O-hybrid-b3lyp_libxc_uks.inp -76.41035425153640 OK ( 6.91 sec) + H2O_pbe_libxc_tddfpt-s.inp -17.23116251469144 OK ( 5.31 sec) + H2O_lda_libxc_tddfpt-s.inp -17.13289833454144 OK ( 6.27 sec) + H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251473398 OK ( 14.45 sec) + H2O-hybrid-b3lyp_libxc.inp -76.41035425153640 OK ( 8.75 sec) + H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833454527 OK ( 10.29 sec) + H2O-tpssx_libxc.inp -33.88300963207840 OK ( 8.05 sec) + diamond_br89_libxc_uks.inp -11.06581602231709 OK ( 110.59 sec) + diamond_br89_libxc.inp -11.06581602231708 OK ( 45.97 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-libxc (4 of 44) done in 236.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hfx-periodic (5 of 44) Running H2O-trunc-2.inp Running H2O-trunc-auto.inp Running H2O-coul-0.inp @@ -36418,24 +36452,24 @@ Running CH3-coul-0.inp Running h2o-respa.inp Running h2o-respa_restart.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hfx-periodic - H2O-trunc-2.inp -75.99943504501140 OK ( 2.35 sec) - H2O-trunc-auto.inp -75.99943504501140 OK ( 2.56 sec) - H2O-coul-0.inp -76.02314790926945 OK ( 1.60 sec) - H2O-trunc-auto-md.inp -0.752385976534E+02 OK ( 3.55 sec) - CH3-trunc-auto.inp -39.13005530521930 OK ( 3.75 sec) - CH3-trunc-1.inp -39.36116309479785 OK ( 4.51 sec) - CH3-trunc-auto-md.inp -0.387264301887E+02 OK ( 8.79 sec) - CH3-coul-0.inp -39.39910229689137 OK ( 4.05 sec) - h2o-respa.inp -76.02310918725378 OK ( 23.51 sec) - h2o-respa_restart.inp -76.02267217094220 OK ( 15.26 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hfx-periodic (5 of 44) done in 80.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-sccs-2 (6 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hfx-periodic + H2O-trunc-2.inp -75.99943504501140 OK ( 9.52 sec) + H2O-trunc-auto.inp -75.99943504501140 OK ( 5.72 sec) + H2O-coul-0.inp -76.02314790926945 OK ( 3.63 sec) + H2O-trunc-auto-md.inp -0.752385976534E+02 OK ( 8.90 sec) + CH3-trunc-auto.inp -39.13005530521930 OK ( 5.92 sec) + CH3-trunc-1.inp -39.36116309479785 OK ( 6.68 sec) + CH3-trunc-auto-md.inp -0.387264301887E+02 OK ( 12.33 sec) + CH3-coul-0.inp -39.39910229689137 OK ( 6.14 sec) + h2o-respa.inp -76.02310918725378 OK ( 42.74 sec) + h2o-respa_restart.inp -76.02267217094220 OK ( 23.11 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hfx-periodic (5 of 44) done in 141.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-sccs-2 (6 of 44) Running H2O_sccs_otdiis_cd5.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-sccs-2 - H2O_sccs_otdiis_cd5.inp -17.22646287529307 OK ( 68.98 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-sccs-2 (6 of 44) done in 71.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/MC/regtest (7 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-sccs-2 + H2O_sccs_otdiis_cd5.inp -17.22646287529307 OK ( 109.51 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-sccs-2 (6 of 44) done in 111.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/MC/regtest (7 of 44) Running MC_QS.inp Running MC_QS_restart.inp Running GEMC_NpT_box1.inp @@ -36446,26 +36480,26 @@ Running virial.inp Running hmc.inp Running MC_QS_cluster.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/MC/regtest - MC_QS.inp -51.34794469 OK ( 3.04 sec) - MC_QS_restart.inp -51.34909000 OK ( 4.05 sec) - GEMC_NpT_box1.inp 0.49826574 OK ( 1.62 sec) - GEMC_NVT_box1.inp 0.49803069 OK ( 1.77 sec) - GEMC_swap_box1.inp 0.55872200 OK ( 2.58 sec) - canonical.inp 0.55333815 OK ( 0.10 sec) - canonical_bias.inp 0.38566238 OK ( 0.32 sec) - virial.inp -.723498E+03 OK ( 0.43 sec) - hmc.inp -2.49775342 OK ( 15.18 sec) - MC_QS_cluster.inp -123.50714373337746 OK ( 43.85 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/MC/regtest (7 of 44) done in 83.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-ps-implicit-2-3 (8 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/MC/regtest + MC_QS.inp -51.34794469 OK ( 3.61 sec) + MC_QS_restart.inp -51.34909000 OK ( 4.25 sec) + GEMC_NpT_box1.inp 0.49826574 OK ( 2.50 sec) + GEMC_NVT_box1.inp 0.49803069 OK ( 2.56 sec) + GEMC_swap_box1.inp 0.55872200 OK ( 4.55 sec) + canonical.inp 0.55333815 OK ( 0.17 sec) + canonical_bias.inp 0.38566238 OK ( 0.46 sec) + virial.inp -.723498E+03 OK ( 0.57 sec) + hmc.inp -2.49775342 OK ( 18.54 sec) + MC_QS_cluster.inp -123.50714373337746 OK ( 61.54 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/MC/regtest (7 of 44) done in 109.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-ps-implicit-2-3 (8 of 44) Running H2O_mixed_periodic_cuboidal.inp Running H2O_mixed_periodic_cylindrical.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-ps-implicit-2-3 - H2O_mixed_periodic_cuboidal.inp -17.23631233709992 OK ( 47.32 sec) - H2O_mixed_periodic_cylindrical.inp -17.32193412960623 OK ( 20.59 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-ps-implicit-2-3 (8 of 44) done in 71.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/ATOM/regtest-2 (9 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-ps-implicit-2-3 + H2O_mixed_periodic_cuboidal.inp -17.23631233709992 OK ( 75.13 sec) + H2O_mixed_periodic_cylindrical.inp -17.32193412960623 OK ( 37.75 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-ps-implicit-2-3 (8 of 44) done in 116.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/ATOM/regtest-2 (9 of 44) Running H.inp Running He_1.inp Running He_2.inp @@ -36506,49 +36540,49 @@ Running C.inp Running C_ADMM.inp Running C_tpss.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/ATOM/regtest-2 - H.inp -0.499999999830 OK ( 0.18 sec) - He_1.inp -1.399307796698 OK ( 0.02 sec) - He_2.inp -1.336212351224 OK ( 0.02 sec) - He_3.inp -1.416270865184 OK ( 0.02 sec) - He_4.inp -1.344280962964 OK ( 0.02 sec) - He_5.inp -1.408879880907 OK ( 0.02 sec) - F_1.inp -24.171954774816 OK ( 0.07 sec) - F_2.inp -24.171954774816 OK ( 0.06 sec) - F_3.inp -24.171954774816 OK ( 0.06 sec) - F_4.inp -23.517790822114 OK ( 0.05 sec) - F_5.inp -23.437623684262 OK ( 0.04 sec) - U.inp -25598.253318868767 OK ( 6.84 sec) - Ru.inp -15.9518066199 OK ( 1.76 sec) - Ru_basis.inp -15.951806619855 OK ( 0.04 sec) - Ru_conf.inp -15.9897774741 OK ( 3.41 sec) - atom_1.inp -0.462506882641 OK ( 0.04 sec) - atom_2.inp -0.356859139125 OK ( 0.04 sec) - atom_3.inp -0.462506882641 OK ( 0.04 sec) - atom_4.inp -0.146531730136 OK ( 0.04 sec) - atom_5.inp -0.462506882641 OK ( 0.04 sec) - atom_c1.inp -0.460470116001 OK ( 0.02 sec) - atom_c2.inp -0.348633649362 OK ( 0.02 sec) - atom_c3.inp -0.460470116001 OK ( 0.03 sec) - atom_c4.inp -0.038182392054 OK ( 0.02 sec) - atom_c5.inp -0.460470116001 OK ( 0.02 sec) - slater_0.inp -2.847630187388 OK ( 0.01 sec) - slater_1.inp -526.292493965898 OK ( 0.01 sec) - slater_2.inp -24.243036046106 OK ( 0.19 sec) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/ATOM/regtest-2 + H.inp -0.499999999830 OK ( 0.56 sec) + He_1.inp -1.399307796698 OK ( 0.06 sec) + He_2.inp -1.336212351224 OK ( 0.07 sec) + He_3.inp -1.416270865184 OK ( 0.03 sec) + He_4.inp -1.344280962964 OK ( 0.10 sec) + He_5.inp -1.408879880907 OK ( 0.08 sec) + F_1.inp -24.171954774816 OK ( 0.29 sec) + F_2.inp -24.171954774816 OK ( 0.35 sec) + F_3.inp -24.171954774816 OK ( 0.31 sec) + F_4.inp -23.517790822114 OK ( 0.23 sec) + F_5.inp -23.437623684262 OK ( 0.18 sec) + U.inp -25598.253318868767 OK ( 17.45 sec) + Ru.inp -15.9518066199 OK ( 7.61 sec) + Ru_basis.inp -15.951806619855 OK ( 0.24 sec) + Ru_conf.inp -15.9897774741 OK ( 16.74 sec) + atom_1.inp -0.462506882641 OK ( 0.18 sec) + atom_2.inp -0.356859139125 OK ( 0.20 sec) + atom_3.inp -0.462506882641 OK ( 0.13 sec) + atom_4.inp -0.146531730136 OK ( 0.20 sec) + atom_5.inp -0.462506882641 OK ( 0.14 sec) + atom_c1.inp -0.460470116001 OK ( 0.10 sec) + atom_c2.inp -0.348633649362 OK ( 0.12 sec) + atom_c3.inp -0.460470116001 OK ( 0.07 sec) + atom_c4.inp -0.038182392054 OK ( 0.07 sec) + atom_c5.inp -0.460470116001 OK ( 0.08 sec) + slater_0.inp -2.847630187388 OK ( 0.04 sec) + slater_1.inp -526.292493965898 OK ( 0.04 sec) + slater_2.inp -24.243036046106 OK ( 0.38 sec) slater_3.inp -2.838751324071 OK ( 0.01 sec) - slater_4.inp 8.063992740899 OK ( 0.03 sec) - slater_5.inp 109583.1142107928 OK ( 0.04 sec) - slater_6.inp 654139958.7025703192 OK ( 0.12 sec) - slater_7.inp -2.8616551247 OK ( 0.47 sec) - slater_8.inp -0.1875976021 OK ( 0.04 sec) - slater_9.inp -525.7615443522 OK ( 0.16 sec) - slater_10.inp -2.841058209720 OK ( 0.01 sec) - Hg.inp -19602.261685089627 OK ( 2.13 sec) - C.inp -37.799871796426 OK ( 0.18 sec) - C_ADMM.inp -37.758721798835 OK ( 0.15 sec) - C_tpss.inp -37.801438870459 OK ( 0.25 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/ATOM/regtest-2 (9 of 44) done in 55.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/LIBTEST (10 of 44) + slater_4.inp 8.063992740899 OK ( 0.04 sec) + slater_5.inp 109583.1142107928 OK ( 0.05 sec) + slater_6.inp 654139958.7025703192 OK ( 0.16 sec) + slater_7.inp -2.8616551247 OK ( 0.66 sec) + slater_8.inp -0.1875976021 OK ( 0.07 sec) + slater_9.inp -525.7615443522 OK ( 0.72 sec) + slater_10.inp -2.841058209720 OK ( 0.03 sec) + Hg.inp -19602.261685089627 OK ( 4.71 sec) + C.inp -37.799871796426 OK ( 0.46 sec) + C_ADMM.inp -37.758721798835 OK ( 0.87 sec) + C_tpss.inp -37.801438870459 OK ( 0.87 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/ATOM/regtest-2 (9 of 44) done in 136.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/LIBTEST (10 of 44) Running test_01.inp Running test_02.inp Running test_pw.inp @@ -36579,50 +36613,50 @@ Running test_minimax.inp Running test_shg_integrals_01.inp Running test_shg_integrals_02.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/LIBTEST - test_01.inp - OK ( 5.02 sec) - test_02.inp - OK ( 1.22 sec) - test_pw.inp - OK ( 0.19 sec) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/LIBTEST + test_01.inp - OK ( 14.80 sec) + test_02.inp - OK ( 4.80 sec) + test_pw.inp - OK ( 0.48 sec) test_pw_02.inp - OK ( 0.01 sec) test_pw_03.inp - OK ( 0.01 sec) - test_pw_04.inp - OK ( 2.29 sec) - test_pw_05.inp - OK ( 0.01 sec) - test_cp_fm_gemm_01.inp - OK ( 1.21 sec) - test_cp_fm_gemm_02.inp - OK ( 1.12 sec) - eig.inp - OK ( 0.01 sec) - dbcsr_mm_blas.inp - OK ( 0.07 sec) - dbcsr_multistack.inp - OK ( 0.20 sec) - dbcsr_types.inp - OK ( 0.27 sec) - dbcsr_blocks_01.inp 20978908949.261906 OK ( 1.50 sec) - dbcsr_blocks_02.inp 21229174127.238159 OK ( 1.48 sec) - dbcsr_blocks_03.inp 21561533688.640671 OK ( 1.28 sec) - dbcsr_blocks_04.inp 21304439095.777740 OK ( 1.15 sec) - dbcsr_blocks_05.inp 21455488291.450737 OK ( 1.31 sec) - dbcsr_types_01.inp 272584373.29241341 OK ( 0.27 sec) - dbcsr_types_02.inp 272584373.29241341 OK ( 0.28 sec) - dbcsr_types_03.inp 272584373.29241341 OK ( 0.27 sec) - dbcsr_types_04.inp 272584373.29241341 OK ( 0.27 sec) - dbcsr_types_05.inp 272584373.29241341 OK ( 0.25 sec) - dbcsr_io_1.inp - OK ( 0.10 sec) - dbcsr_order_N.inp 1910924.8949438259 OK ( 3.34 sec) - test_eri_mme_accuracy.inp - OK ( 1.18 sec) - test_eri_mme_performance.inp - OK ( 3.20 sec) - test_minimax.inp - OK ( 0.52 sec) - test_shg_integrals_01.inp - OK ( 2.12 sec) - test_shg_integrals_02.inp - OK ( 0.93 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/LIBTEST (10 of 44) done in 60.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hfx-stress (11 of 44) + test_pw_04.inp - OK ( 4.66 sec) + test_pw_05.inp - OK ( 0.03 sec) + test_cp_fm_gemm_01.inp - OK ( 2.75 sec) + test_cp_fm_gemm_02.inp - OK ( 3.69 sec) + eig.inp - OK ( 0.04 sec) + dbcsr_mm_blas.inp - OK ( 0.23 sec) + dbcsr_multistack.inp - OK ( 0.56 sec) + dbcsr_types.inp - OK ( 0.82 sec) + dbcsr_blocks_01.inp 20978908949.261906 OK ( 3.90 sec) + dbcsr_blocks_02.inp 21229174127.238159 OK ( 2.44 sec) + dbcsr_blocks_03.inp 21561533688.640671 OK ( 2.54 sec) + dbcsr_blocks_04.inp 21304439095.777740 OK ( 2.17 sec) + dbcsr_blocks_05.inp 21455488291.450737 OK ( 1.95 sec) + dbcsr_types_01.inp 272584373.29241341 OK ( 0.41 sec) + dbcsr_types_02.inp 272584373.29241341 OK ( 0.44 sec) + dbcsr_types_03.inp 272584373.29241341 OK ( 0.46 sec) + dbcsr_types_04.inp 272584373.29241341 OK ( 0.45 sec) + dbcsr_types_05.inp 272584373.29241341 OK ( 0.43 sec) + dbcsr_io_1.inp - OK ( 0.19 sec) + dbcsr_order_N.inp 1910924.8949438259 OK ( 4.98 sec) + test_eri_mme_accuracy.inp - OK ( 1.46 sec) + test_eri_mme_performance.inp - OK ( 4.13 sec) + test_minimax.inp - OK ( 0.70 sec) + test_shg_integrals_01.inp - OK ( 3.06 sec) + test_shg_integrals_02.inp - OK ( 1.10 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/LIBTEST (10 of 44) done in 109.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hfx-stress (11 of 44) Running ch3-admm.inp Running ch3.inp Running ch4-admm.inp Running h2o.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hfx-stress - ch3-admm.inp -7.17220676E+00 OK ( 17.47 sec) - ch3.inp 2.83902802E+01 OK ( 6.74 sec) - ch4-admm.inp -7.10694616E+00 OK ( 15.23 sec) - h2o.inp 1.26297506E+01 OK ( 4.35 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hfx-stress (11 of 44) done in 48.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/DFTB/regtest-nonscc (12 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hfx-stress + ch3-admm.inp -7.17220676E+00 OK ( 21.22 sec) + ch3.inp 2.83902802E+01 OK ( 9.30 sec) + ch4-admm.inp -7.10694616E+00 OK ( 20.96 sec) + h2o.inp 1.26297506E+01 OK ( 6.54 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hfx-stress (11 of 44) done in 63.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/DFTB/regtest-nonscc (12 of 44) Running ch2o-1.inp Running ch2o-2.inp Running ch2o-3.inp @@ -36646,32 +36680,32 @@ Running co2_3.inp Running si_kp1.inp Running si_kp2.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/DFTB/regtest-nonscc - ch2o-1.inp -5.82072731467941 OK ( 0.07 sec) - ch2o-2.inp -5.82159061359821 OK ( 0.10 sec) - ch2o-3.inp -5.81373413468792 OK ( 0.10 sec) - ch2o-r.inp -5.81373413468792 OK ( 0.12 sec) - h2-1.inp -0.70875565358819 OK ( 0.02 sec) - h2-2.inp -0.70875565358819 OK ( 0.02 sec) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/DFTB/regtest-nonscc + ch2o-1.inp -5.82072731467941 OK ( 0.13 sec) + ch2o-2.inp -5.82159061359821 OK ( 0.13 sec) + ch2o-3.inp -5.81373413468792 OK ( 0.16 sec) + ch2o-r.inp -5.81373413468792 OK ( 0.13 sec) + h2-1.inp -0.70875565358819 OK ( 0.03 sec) + h2-2.inp -0.70875565358819 OK ( 0.03 sec) h2-3.inp -0.70875565358819 OK ( 0.03 sec) - h2-4.inp -0.71042952969308 OK ( 0.07 sec) - h2o-32_1.inp -131.08636939008773 OK ( 0.87 sec) - h2o-32_2.inp -131.07999691054360 OK ( 0.87 sec) - h2o-32_3.inp -131.07520911566399 OK ( 0.57 sec) - h2o-32_4.inp -131.07520911521175 OK ( 4.81 sec) - MoS.inp -2.99616182900092 OK ( 0.30 sec) - n2.inp -4.86560729572791 OK ( 0.41 sec) - s2.inp -4.83731808711857 OK ( 0.09 sec) - ch2o_atprop.inp -5.81281420275335 OK ( 0.07 sec) - MoS_atprop.inp -2.99616182900092 OK ( 0.29 sec) - h2o-32_atprop.inp -131.08636939008773 OK ( 0.88 sec) - co2_1.inp -8.55586246566686 OK ( 0.04 sec) - co2_2.inp -8.55586246566686 OK ( 0.04 sec) - co2_3.inp -8.55586246566686 OK ( 0.04 sec) - si_kp1.inp -10.06358203475393 OK ( 0.88 sec) - si_kp2.inp - OK ( 8.24 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/DFTB/regtest-nonscc (12 of 44) done in 41.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hirshfeld (13 of 44) + h2-4.inp -0.71042952969308 OK ( 0.08 sec) + h2o-32_1.inp -131.08636939008773 OK ( 1.05 sec) + h2o-32_2.inp -131.07999691054360 OK ( 1.17 sec) + h2o-32_3.inp -131.07520911566399 OK ( 0.78 sec) + h2o-32_4.inp -131.07520911521175 OK ( 6.37 sec) + MoS.inp -2.99616182900092 OK ( 0.37 sec) + n2.inp -4.86560729572791 OK ( 0.56 sec) + s2.inp -4.83731808711857 OK ( 0.13 sec) + ch2o_atprop.inp -5.81281420275335 OK ( 0.12 sec) + MoS_atprop.inp -2.99616182900092 OK ( 0.35 sec) + h2o-32_atprop.inp -131.08636939008773 OK ( 1.18 sec) + co2_1.inp -8.55586246566686 OK ( 0.06 sec) + co2_2.inp -8.55586246566686 OK ( 0.06 sec) + co2_3.inp -8.55586246566686 OK ( 0.06 sec) + si_kp1.inp -10.06358203475393 OK ( 1.37 sec) + si_kp2.inp - OK ( 11.21 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/DFTB/regtest-nonscc (12 of 44) done in 50.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hirshfeld (13 of 44) Running htest_1.inp Running htest_2.inp Running htest_3.inp @@ -36690,27 +36724,27 @@ Running hlsd_7.inp Running hlsd_8.inp Running hlsd_9.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hirshfeld - htest_1.inp -17.14603641576920 OK ( 0.54 sec) - htest_2.inp -17.14603641576920 OK ( 0.50 sec) - htest_3.inp -17.14603641576920 OK ( 0.55 sec) - htest_4.inp -17.14603641576920 OK ( 0.50 sec) - htest_5.inp -17.14603641576920 OK ( 0.50 sec) - htest_6.inp -17.14603641576920 OK ( 0.67 sec) - htest_7.inp -17.13771713040759 OK ( 0.57 sec) - htest_8.inp -17.13771713040759 OK ( 0.58 sec) - htest_9.inp -17.13771713040759 OK ( 0.76 sec) - hlsd_1.inp -16.81101156919317 OK ( 0.91 sec) - hlsd_2.inp -16.81101156919317 OK ( 1.21 sec) - hlsd_3.inp -16.81101156919317 OK ( 0.90 sec) - hlsd_4.inp -16.81101156919317 OK ( 1.09 sec) - hlsd_5.inp -16.81101156919317 OK ( 1.23 sec) - hlsd_6.inp -16.80070757657531 OK ( 1.06 sec) - hlsd_7.inp -16.80070757657531 OK ( 1.05 sec) - hlsd_8.inp -16.80070757657531 OK ( 1.33 sec) - hlsd_9.inp -16.80070757657531 OK ( 1.30 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hirshfeld (13 of 44) done in 34.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-gpw-2-1 (14 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hirshfeld + htest_1.inp -17.14603641576920 OK ( 0.69 sec) + htest_2.inp -17.14603641576920 OK ( 0.70 sec) + htest_3.inp -17.14603641576920 OK ( 0.73 sec) + htest_4.inp -17.14603641576920 OK ( 0.69 sec) + htest_5.inp -17.14603641576920 OK ( 0.70 sec) + htest_6.inp -17.14603641576920 OK ( 0.94 sec) + htest_7.inp -17.13771713040759 OK ( 0.81 sec) + htest_8.inp -17.13771713040759 OK ( 0.79 sec) + htest_9.inp -17.13771713040759 OK ( 1.02 sec) + hlsd_1.inp -16.81101156919317 OK ( 1.26 sec) + hlsd_2.inp -16.81101156919317 OK ( 1.54 sec) + hlsd_3.inp -16.81101156919317 OK ( 1.14 sec) + hlsd_4.inp -16.81101156919317 OK ( 1.16 sec) + hlsd_5.inp -16.81101156919317 OK ( 1.53 sec) + hlsd_6.inp -16.80070757657531 OK ( 1.47 sec) + hlsd_7.inp -16.80070757657531 OK ( 1.51 sec) + hlsd_8.inp -16.80070757657531 OK ( 1.89 sec) + hlsd_9.inp -16.80070757657531 OK ( 1.84 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hirshfeld (13 of 44) done in 40.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-gpw-2-1 (14 of 44) Running H2-vib.inp Running H2-vib_tc.inp Running H2O-2.inp @@ -36719,17 +36753,17 @@ Running ZrO.inp Running Ar-12.inp Running Ar-13.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-gpw-2-1 - H2-vib.inp 3855.524137 OK ( 6.35 sec) - H2-vib_tc.inp -5.75148845 OK ( 6.30 sec) - H2O-2.inp -17.14619644954620 OK ( 1.16 sec) - H2O-3.inp -17.14553123459374 OK ( 1.25 sec) - H2O-4.inp -17.14677584574902 OK ( 1.29 sec) - ZrO.inp -62.20520122517462 OK ( 0.62 sec) - Ar-12.inp -21.04251999576258 OK ( 1.08 sec) - Ar-13.inp -21.12624107440081 OK ( 1.03 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-gpw-2-1 (14 of 44) done in 27.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/DFTB/regtest (15 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-gpw-2-1 + H2-vib.inp 3855.524137 OK ( 9.00 sec) + H2-vib_tc.inp -5.75148845 OK ( 8.98 sec) + H2O-2.inp -17.14619644954620 OK ( 1.59 sec) + H2O-3.inp -17.14553123459374 OK ( 1.79 sec) + H2O-4.inp -17.14677584574902 OK ( 1.77 sec) + ZrO.inp -62.20520122517462 OK ( 0.89 sec) + Ar-12.inp -21.04251999576258 OK ( 1.50 sec) + Ar-13.inp -21.12624107440081 OK ( 1.46 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-gpw-2-1 (14 of 44) done in 37.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/DFTB/regtest (15 of 44) Running wdim_scc.inp Running wdim_nonscc.inp Running wdimmc_scc.inp @@ -36745,35 +36779,35 @@ Running fdeb_5.inp Running fdeb_6.inp Running fdeb_7.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/DFTB/regtest - wdim_scc.inp -4.07355023693330 OK ( 0.09 sec) - wdim_nonscc.inp -4.10498450145550 OK ( 0.09 sec) - wdimmc_scc.inp -4.07060757309577 OK ( 0.09 sec) - wdimmc_nonscc.inp -4.10169797261567 OK ( 0.09 sec) - epc_1.inp -4.07357205844602 OK ( 0.12 sec) - epc_2.inp -4.07355023693330 OK ( 0.07 sec) - epc_3.inp -4.10500910796087 OK ( 0.12 sec) - epc_4.inp -4.07358020377115 OK ( 0.17 sec) - fdeb_1.inp - OK ( 0.80 sec) - fdeb_2.inp - OK ( 0.82 sec) - fdeb_3.inp - OK ( 0.56 sec) - fdeb_4.inp - OK ( 1.09 sec) - fdeb_5.inp - OK ( 0.57 sec) - fdeb_6.inp - OK ( 1.14 sec) - fdeb_7.inp - OK ( 1.70 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/DFTB/regtest (15 of 44) done in 22.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-gapw (16 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/DFTB/regtest + wdim_scc.inp -4.07355023693330 OK ( 0.17 sec) + wdim_nonscc.inp -4.10498450145550 OK ( 0.14 sec) + wdimmc_scc.inp -4.07060757309577 OK ( 0.12 sec) + wdimmc_nonscc.inp -4.10169797261567 OK ( 0.14 sec) + epc_1.inp -4.07357205844602 OK ( 0.17 sec) + epc_2.inp -4.07355023693330 OK ( 0.10 sec) + epc_3.inp -4.10500910796087 OK ( 0.21 sec) + epc_4.inp -4.07358020377115 OK ( 0.22 sec) + fdeb_1.inp - OK ( 1.20 sec) + fdeb_2.inp - OK ( 1.26 sec) + fdeb_3.inp - OK ( 0.85 sec) + fdeb_4.inp - OK ( 1.62 sec) + fdeb_5.inp - OK ( 0.88 sec) + fdeb_6.inp - OK ( 1.52 sec) + fdeb_7.inp - OK ( 2.37 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/DFTB/regtest (15 of 44) done in 29.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-gapw (16 of 44) Running C11H24-qmmmgapwall-gauss-0.inp Running C11H24-qmmmgapw-gauss-0.inp Running H2O-qmmm-gapw-fdbg.inp Running H2O-qmmm-hfx.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-gapw - C11H24-qmmmgapwall-gauss-0.inp -156.88271046728201 OK ( 2.90 sec) - C11H24-qmmmgapw-gauss-0.inp -28.0421973525 OK ( 2.89 sec) - H2O-qmmm-gapw-fdbg.inp -16.93909155474979 OK ( 7.35 sec) - H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 4.53 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-gapw (16 of 44) done in 22.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-4 (17 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-gapw + C11H24-qmmmgapwall-gauss-0.inp -156.88271046728201 OK ( 3.71 sec) + C11H24-qmmmgapw-gauss-0.inp -28.0421973525 OK ( 3.85 sec) + H2O-qmmm-gapw-fdbg.inp -16.93909155474979 OK ( 9.38 sec) + H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 5.91 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-gapw (16 of 44) done in 28.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-4 (17 of 44) Running crys_per_qmmm.inp Running crys_per_qmmm_anal.inp Running crys_per_qmmm_spln.inp @@ -36781,16 +36815,16 @@ Running acn-qmmm-re.inp Running acn-conn-1.inp Running wat_nacl.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-4 - crys_per_qmmm.inp -0.08375440731417 OK ( 2.37 sec) - crys_per_qmmm_anal.inp -0.03306937241486 OK ( 2.26 sec) - crys_per_qmmm_spln.inp -0.03306936676792 OK ( 2.47 sec) - crys_per_qmmm_none.inp -0.08375440731443 OK ( 1.64 sec) - acn-qmmm-re.inp -14.78512402419019 OK ( 0.83 sec) - acn-conn-1.inp -291.98859047836942 OK ( 6.88 sec) - wat_nacl.inp -16.691503876218249 OK ( 3.40 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-4 (17 of 44) done in 27.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/SE/regtest_2 (18 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-4 + crys_per_qmmm.inp -0.08375440731417 OK ( 2.69 sec) + crys_per_qmmm_anal.inp -0.03306937241486 OK ( 2.85 sec) + crys_per_qmmm_spln.inp -0.03306936676792 OK ( 2.88 sec) + crys_per_qmmm_none.inp -0.08375440731443 OK ( 1.86 sec) + acn-qmmm-re.inp -14.78512402419019 OK ( 1.08 sec) + acn-conn-1.inp -291.98859047836942 OK ( 10.29 sec) + wat_nacl.inp -16.691503876218249 OK ( 4.08 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-4 (17 of 44) done in 34.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/SE/regtest_2 (18 of 44) Running nh3_g4x6_excl_mm.inp Running nh3_g4x6_excl_qm.inp Running water_colv_excl_mm.inp @@ -36800,38 +36834,38 @@ Running water_g3x3_excl_mm.inp Running water_g3x3_excl_qm.inp Running Si_tersoff_qmmm.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/SE/regtest_2 - nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 0.56 sec) - nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 0.78 sec) - water_colv_excl_mm.inp -0.128071776255E+02 OK ( 0.59 sec) - water_colv_excl_qm.inp -0.128078086386E+02 OK ( 0.54 sec) - water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 0.44 sec) - water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 0.56 sec) - water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.48 sec) - water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 0.56 sec) - Si_tersoff_qmmm.inp -3418.06809308949869 OK ( 6.26 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/SE/regtest_2 (18 of 44) done in 20.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-mp2-1 (19 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/SE/regtest_2 + nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 0.82 sec) + nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 0.93 sec) + water_colv_excl_mm.inp -0.128071776255E+02 OK ( 0.86 sec) + water_colv_excl_qm.inp -0.128078086386E+02 OK ( 0.77 sec) + water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 0.65 sec) + water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 0.80 sec) + water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.66 sec) + water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 0.88 sec) + Si_tersoff_qmmm.inp -3418.06809308949869 OK ( 9.27 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/SE/regtest_2 (18 of 44) done in 26.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-mp2-1 (19 of 44) Running H2O-01.inp Running Li.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-mp2-1 - H2O-01.inp -76.263035235024901 OK ( 6.58 sec) - Li.inp -7.442887463669225 OK ( 8.50 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-mp2-1 (19 of 44) done in 18.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-gapw-2 (20 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-mp2-1 + H2O-01.inp -76.263035235024901 OK ( 9.47 sec) + Li.inp -7.442887463669225 OK ( 11.00 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-mp2-1 (19 of 44) done in 24.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-gapw-2 (20 of 44) Running Li-ROKS.inp Running NO2-ROKS.inp Running C-levelshift.inp Running H2-pbe-restart-run.inp Running H2-pbe-restart-rerun.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-gapw-2 - Li-ROKS.inp -7.33891040994150 OK ( 1.50 sec) - NO2-ROKS.inp -203.77833570927427 OK ( 3.10 sec) - C-levelshift.inp -37.44694658478041 OK ( 1.46 sec) - H2-pbe-restart-run.inp -0.60698327541588 OK ( 7.33 sec) - H2-pbe-restart-rerun.inp -0.60698327541597 OK ( 1.64 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-gapw-2 (20 of 44) done in 20.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-2-erf (21 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-gapw-2 + Li-ROKS.inp -7.33891040994150 OK ( 1.63 sec) + NO2-ROKS.inp -203.77833570927427 OK ( 3.52 sec) + C-levelshift.inp -37.44694658478041 OK ( 1.83 sec) + H2-pbe-restart-run.inp -0.60698327541588 OK ( 8.29 sec) + H2-pbe-restart-rerun.inp -0.60698327541597 OK ( 2.03 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-gapw-2 (20 of 44) done in 24.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-2-erf (21 of 44) Running H2O-qmmm-gauss-14-geep-2.inp Running H2O-qmmm-gauss-14-geep-3.inp Running H2O-qmmm-gauss-14-geep-4.inp @@ -36849,26 +36883,26 @@ Running H2O-qmmm-gauss-14-geep-16.inp Running H2O-qmmm-gauss-14-geep-17.inp Running H2O-qmmm-gauss-14-geep-18.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-2-erf - H2O-qmmm-gauss-14-geep-2.inp -12.90417644796724 OK ( 0.28 sec) - H2O-qmmm-gauss-14-geep-3.inp -12.90712061196066 OK ( 0.29 sec) - H2O-qmmm-gauss-14-geep-4.inp -12.90733560862162 OK ( 0.29 sec) - H2O-qmmm-gauss-14-geep-5.inp -12.92642686633910 OK ( 0.29 sec) - H2O-qmmm-gauss-14-geep-6.inp -12.92230602230325 OK ( 0.29 sec) - H2O-qmmm-gauss-14-geep-7.inp -12.91849696653716 OK ( 0.30 sec) - H2O-qmmm-gauss-14-geep-8.inp -12.91621682584687 OK ( 0.30 sec) - H2O-qmmm-gauss-14-geep-9.inp -12.91437166178539 OK ( 0.33 sec) - H2O-qmmm-gauss-14-geep-10.inp -12.91328069126102 OK ( 0.32 sec) - H2O-qmmm-gauss-14-geep-11.inp -12.91297474165044 OK ( 0.31 sec) - H2O-qmmm-gauss-14-geep-12.inp -12.91332340555326 OK ( 0.33 sec) - H2O-qmmm-gauss-14-geep-13.inp -12.91325023093596 OK ( 0.40 sec) - H2O-qmmm-gauss-14-geep-14.inp -12.91299456138989 OK ( 0.33 sec) - H2O-qmmm-gauss-14-geep-15.inp -12.91325018773804 OK ( 0.36 sec) - H2O-qmmm-gauss-14-geep-16.inp -12.91325925146551 OK ( 0.33 sec) - H2O-qmmm-gauss-14-geep-17.inp -12.91336718382153 OK ( 0.40 sec) - H2O-qmmm-gauss-14-geep-18.inp -12.91336753631565 OK ( 0.41 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-2-erf (21 of 44) done in 23.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-md-lgvregion (22 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-2-erf + H2O-qmmm-gauss-14-geep-2.inp -12.90417644796724 OK ( 0.39 sec) + H2O-qmmm-gauss-14-geep-3.inp -12.90712061196066 OK ( 0.38 sec) + H2O-qmmm-gauss-14-geep-4.inp -12.90733560862162 OK ( 0.35 sec) + H2O-qmmm-gauss-14-geep-5.inp -12.92642686633910 OK ( 0.36 sec) + H2O-qmmm-gauss-14-geep-6.inp -12.92230602230325 OK ( 0.36 sec) + H2O-qmmm-gauss-14-geep-7.inp -12.91849696653716 OK ( 0.36 sec) + H2O-qmmm-gauss-14-geep-8.inp -12.91621682584687 OK ( 0.36 sec) + H2O-qmmm-gauss-14-geep-9.inp -12.91437166178539 OK ( 0.42 sec) + H2O-qmmm-gauss-14-geep-10.inp -12.91328069126102 OK ( 0.39 sec) + H2O-qmmm-gauss-14-geep-11.inp -12.91297474165044 OK ( 0.38 sec) + H2O-qmmm-gauss-14-geep-12.inp -12.91332340555326 OK ( 0.38 sec) + H2O-qmmm-gauss-14-geep-13.inp -12.91325023093596 OK ( 0.39 sec) + H2O-qmmm-gauss-14-geep-14.inp -12.91299456138989 OK ( 0.39 sec) + H2O-qmmm-gauss-14-geep-15.inp -12.91325018773804 OK ( 0.40 sec) + H2O-qmmm-gauss-14-geep-16.inp -12.91325925146551 OK ( 0.41 sec) + H2O-qmmm-gauss-14-geep-17.inp -12.91336718382153 OK ( 0.41 sec) + H2O-qmmm-gauss-14-geep-18.inp -12.91336753631565 OK ( 0.40 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-2-erf (21 of 44) done in 24.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-md-lgvregion (22 of 44) Running langevin_regions-1.inp Running langevin_regions-2.inp Running langevin_regions-3.inp @@ -36876,41 +36910,41 @@ Running langevin_regions-5.inp Running langevin_regions-6.inp Running langevin_regions-7.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-md-lgvregion - langevin_regions-1.inp -34.28350376127396 OK ( 1.72 sec) - langevin_regions-2.inp -34.29677997265512 OK ( 2.07 sec) - langevin_regions-3.inp -34.28350376127396 OK ( 1.72 sec) - langevin_regions-4.inp -34.28727275621107 OK ( 1.76 sec) - langevin_regions-5.inp -34.36743837327834 OK ( 2.06 sec) - langevin_regions-6.inp -34.36335765731371 OK ( 2.20 sec) - langevin_regions-7.inp -34.37404052243396 OK ( 2.06 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-md-lgvregion (22 of 44) done in 21.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-almo-eda (23 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-md-lgvregion + langevin_regions-1.inp -34.28350376127396 OK ( 2.05 sec) + langevin_regions-2.inp -34.29677997265512 OK ( 2.34 sec) + langevin_regions-3.inp -34.28350376127396 OK ( 2.04 sec) + langevin_regions-4.inp -34.28727275621107 OK ( 2.09 sec) + langevin_regions-5.inp -34.36743837327834 OK ( 2.50 sec) + langevin_regions-6.inp -34.36335765731371 OK ( 2.87 sec) + langevin_regions-7.inp -34.37404052243396 OK ( 2.87 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-md-lgvregion (22 of 44) done in 24.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-almo-eda (23 of 44) Running almo-eda-x.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-almo-eda - almo-eda-x.inp -85.963728515580399 OK ( 18.66 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-almo-eda (23 of 44) done in 21.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-epr-2 (24 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-almo-eda + almo-eda-x.inp -85.963728515580399 OK ( 23.30 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-almo-eda (23 of 44) done in 26.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-epr-2 (24 of 44) Running NO2-EPR-1.inp Running NO2-EPR-2.inp Running NO2-EPR-3.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-epr-2 - NO2-EPR-1.inp -0.344563E-02 OK ( 5.45 sec) - NO2-EPR-2.inp -0.252817E-02 OK ( 2.28 sec) - NO2-EPR-3.inp -0.358602E-02 OK ( 2.95 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-epr-2 (24 of 44) done in 15.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hybrid-1 (25 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-epr-2 + NO2-EPR-1.inp -0.344563E-02 OK ( 8.17 sec) + NO2-EPR-2.inp -0.252817E-02 OK ( 3.26 sec) + NO2-EPR-3.inp -0.358602E-02 OK ( 4.28 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-epr-2 (24 of 44) done in 20.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hybrid-1 (25 of 44) Running H2O-hybrid-bhandh.inp Running H2O-hybrid-bhandhlyp.inp Running H2O-hybrid-pbe0.inp Running H2O-hybrid-b3lyp.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hybrid-1 - H2O-hybrid-bhandh.inp -75.90482117214340 OK ( 2.75 sec) - H2O-hybrid-bhandhlyp.inp -76.33558050438722 OK ( 2.78 sec) - H2O-hybrid-pbe0.inp -76.31995333432781 OK ( 2.98 sec) - H2O-hybrid-b3lyp.inp -76.37338938969130 OK ( 2.83 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-hybrid-1 (25 of 44) done in 16.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/FARMING/regtest-1 (26 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hybrid-1 + H2O-hybrid-bhandh.inp -75.90482117214340 OK ( 3.75 sec) + H2O-hybrid-bhandhlyp.inp -76.33558050438722 OK ( 3.54 sec) + H2O-hybrid-pbe0.inp -76.31995333432781 OK ( 4.62 sec) + H2O-hybrid-b3lyp.inp -76.37338938969130 OK ( 4.45 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-hybrid-1 (25 of 44) done in 22.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/FARMING/regtest-1 (26 of 44) Running farming-1.inp Running farming-2.inp Running farming-3.inp @@ -36920,18 +36954,18 @@ Running farming-7.inp Running farming-8.inp Running farming-9.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/FARMING/regtest-1 - farming-1.inp - OK ( 0.83 sec) - farming-2.inp - OK ( 0.78 sec) - farming-3.inp - OK ( 0.77 sec) - farming-4.inp - OK ( 0.81 sec) - farming-5.inp - OK ( 0.85 sec) - farming-6.inp - OK ( 0.70 sec) - farming-7.inp - OK ( 0.81 sec) - farming-8.inp - OK ( 0.81 sec) - farming-9.inp - OK ( 0.18 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/FARMING/regtest-1 (26 of 44) done in 16.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-ot-refine-3 (27 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/FARMING/regtest-1 + farming-1.inp - OK ( 1.14 sec) + farming-2.inp - OK ( 1.12 sec) + farming-3.inp - OK ( 1.12 sec) + farming-4.inp - OK ( 1.03 sec) + farming-5.inp - OK ( 1.16 sec) + farming-6.inp - OK ( 0.86 sec) + farming-7.inp - OK ( 1.18 sec) + farming-8.inp - OK ( 1.14 sec) + farming-9.inp - OK ( 0.26 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/FARMING/regtest-1 (26 of 44) done in 18.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-ot-refine-3 (27 of 44) Running h2o_ot_lwdn_on_the_fly_l1.inp Running h2o_ot_poly_on_the_fly_l1.inp Running o2_ot_lwdn_on_the_fly_l1.inp @@ -36944,21 +36978,21 @@ Running h2o_ot_precond_2.inp Running h2o_ot_precond_3.inp Running h2o_ot_precond_4.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-ot-refine-3 - h2o_ot_lwdn_on_the_fly_l1.inp -17.13045716728598 OK ( 0.48 sec) - h2o_ot_poly_on_the_fly_l1.inp -17.13045716728600 OK ( 0.50 sec) - o2_ot_lwdn_on_the_fly_l1.inp -31.70815206588210 OK ( 0.75 sec) - o2_ot_poly_on_the_fly_l1.inp -31.70815206588210 OK ( 0.80 sec) - h2o_ot_refine_3.inp -17.08884678364350 OK ( 0.32 sec) - h2o_ot_refine_4.inp -17.11857286021014 OK ( 0.31 sec) - o2_ot_refine_3.inp -31.60858517009371 OK ( 0.46 sec) - o2_ot_refine_4.inp -31.58768163513291 OK ( 0.42 sec) - h2o_ot_precond_1.inp -16.05766867320428 OK ( 0.16 sec) - h2o_ot_precond_2.inp -16.06790080245656 OK ( 0.14 sec) - h2o_ot_precond_3.inp -16.02559849773804 OK ( 0.16 sec) - h2o_ot_precond_4.inp -15.85782186381693 OK ( 0.14 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-ot-refine-3 (27 of 44) done in 17.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/Fist/regtest-11 (28 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-ot-refine-3 + h2o_ot_lwdn_on_the_fly_l1.inp -17.13045716728598 OK ( 0.58 sec) + h2o_ot_poly_on_the_fly_l1.inp -17.13045716728600 OK ( 0.59 sec) + o2_ot_lwdn_on_the_fly_l1.inp -31.70815206588210 OK ( 0.97 sec) + o2_ot_poly_on_the_fly_l1.inp -31.70815206588210 OK ( 1.07 sec) + h2o_ot_refine_3.inp -17.08884678364350 OK ( 0.39 sec) + h2o_ot_refine_4.inp -17.11857286021014 OK ( 0.47 sec) + o2_ot_refine_3.inp -31.60858517009371 OK ( 1.41 sec) + o2_ot_refine_4.inp -31.58768163513291 OK ( 1.07 sec) + h2o_ot_precond_1.inp -16.05766867320428 OK ( 0.51 sec) + h2o_ot_precond_2.inp -16.06790080245656 OK ( 0.45 sec) + h2o_ot_precond_3.inp -16.02559849773804 OK ( 0.28 sec) + h2o_ot_precond_4.inp -15.85782186381693 OK ( 0.45 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-ot-refine-3 (27 of 44) done in 26.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/Fist/regtest-11 (28 of 44) Running H2O-32_NVT_CSVR_gen1.inp Running H2O-32_NVT_CSVR_gen2.inp Running H2O-32_NVT_CSVR_gen3.inp @@ -36972,163 +37006,163 @@ Running H2O-32_NVT_NOSE_gen_noCNS2.inp Running H2O-32_NVT_NOSE_gen_noCNS2_R.inp Running H2O-32_NVT_CSVR_gen_noCNS3.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/Fist/regtest-11 - H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.21 sec) - H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.21 sec) - H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.21 sec) - H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.20 sec) - H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.24 sec) - H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.20 sec) - H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.23 sec) - H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.20 sec) - H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.23 sec) - H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.20 sec) - H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 0.24 sec) - H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.22 sec) - H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.20 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/Fist/regtest-11 (28 of 44) done in 16.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-cdft-3-1 (29 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/Fist/regtest-11 + H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.65 sec) + H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.68 sec) + H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.64 sec) + H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.64 sec) + H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.70 sec) + H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.43 sec) + H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.37 sec) + H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.32 sec) + H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.37 sec) + H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.30 sec) + H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 0.36 sec) + H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.30 sec) + H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.30 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/Fist/regtest-11 (28 of 44) done in 27.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-cdft-3-1 (29 of 44) Running HeH-noconstraint.inp Running HeH-cdft-state-1.inp Running HeH-cdft-state-2-reversed.inp Running HeH-mixed-cdft-reversed-1.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-cdft-3-1 - HeH-noconstraint.inp -3.01067446615061 OK ( 2.42 sec) - HeH-cdft-state-1.inp 0.048406441716 OK ( 3.32 sec) - HeH-cdft-state-2-reversed.inp -1.819391902304 OK ( 3.63 sec) - HeH-mixed-cdft-reversed-1.inp 616.641603762390 OK ( 0.78 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-cdft-3-1 (29 of 44) done in 15.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/NEB/regtest-1 (30 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-cdft-3-1 + HeH-noconstraint.inp -3.01067446615061 OK ( 4.04 sec) + HeH-cdft-state-1.inp 0.048406441716 OK ( 4.39 sec) + HeH-cdft-state-2-reversed.inp -1.819391902304 OK ( 4.63 sec) + HeH-mixed-cdft-reversed-1.inp 616.641603762390 OK ( 0.95 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-cdft-3-1 (29 of 44) done in 20.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/NEB/regtest-1 (30 of 44) Running 2gly_B-NEB.inp Running 2gly_CI-NEB.inp Running 2gly_EB-NEB.inp Running 2gly_IT-NEB.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/NEB/regtest-1 - 2gly_B-NEB.inp -0.25722568775077 OK ( 1.10 sec) - 2gly_CI-NEB.inp -0.18925537289844 OK ( 1.09 sec) - 2gly_EB-NEB.inp 49.27319370383376 OK ( 1.08 sec) - 2gly_IT-NEB.inp 0.38518828458828 OK ( 0.90 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/NEB/regtest-1 (30 of 44) done in 9.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-pao-3 (31 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/NEB/regtest-1 + 2gly_B-NEB.inp -0.25722568775077 OK ( 1.47 sec) + 2gly_CI-NEB.inp -0.18925537289844 OK ( 1.26 sec) + 2gly_EB-NEB.inp 49.27319370383376 OK ( 1.26 sec) + 2gly_IT-NEB.inp 0.38518828458828 OK ( 1.04 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/NEB/regtest-1 (30 of 44) done in 10.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-pao-3 (31 of 44) Running He_ref.inp Running He_pao_initguess_exp.inp Running He_pao_initguess_fock.inp Running He_pao_initguess_rotinv.inp Running He_pao_initguess_gth.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-pao-3 - He_ref.inp -2.889334869153732 OK ( 1.16 sec) - He_pao_initguess_exp.inp -2.888972913350885 OK ( 0.64 sec) - He_pao_initguess_fock.inp -2.888972913350885 OK ( 0.64 sec) - He_pao_initguess_rotinv.inp -2.888972913350885 OK ( 0.64 sec) - He_pao_initguess_gth.inp -2.888972913350885 OK ( 0.65 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-pao-3 (31 of 44) done in 9.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/optimize_input/regtest-1 (32 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-pao-3 + He_ref.inp -2.889334869153732 OK ( 1.45 sec) + He_pao_initguess_exp.inp -2.888972913350885 OK ( 0.83 sec) + He_pao_initguess_fock.inp -2.888972913350885 OK ( 0.90 sec) + He_pao_initguess_rotinv.inp -2.888972913350885 OK ( 0.94 sec) + He_pao_initguess_gth.inp -2.888972913350885 OK ( 0.88 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-pao-3 (31 of 44) done in 11.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/optimize_input/regtest-1 (32 of 44) Running argon-ref.inp Running driver.inp Running driver-restart.inp Running driver-stride.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/optimize_input/regtest-1 - argon-ref.inp - OK ( 0.08 sec) - driver.inp 0.1072347063760515E+03 OK ( 0.29 sec) - driver-restart.inp 0.1076965059321602E+03 OK ( 0.44 sec) - driver-stride.inp 0.1072343388958498E+03 OK ( 0.16 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/optimize_input/regtest-1 (32 of 44) done in 6.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-properties/resp (33 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/optimize_input/regtest-1 + argon-ref.inp - OK ( 0.09 sec) + driver.inp 0.1072347063760515E+03 OK ( 0.37 sec) + driver-restart.inp 0.1076965059321602E+03 OK ( 0.60 sec) + driver-stride.inp 0.1072343388958498E+03 OK ( 0.22 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/optimize_input/regtest-1 (32 of 44) done in 7.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-properties/resp (33 of 44) Running CH3OH_nonperiodic.inp Running CH3OH_periodic.inp Running graphite.inp Running CH3OH_periodic_repeat.inp Running graphite_REPEAT.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-properties/resp - CH3OH_nonperiodic.inp 4.418291 OK ( 0.56 sec) - CH3OH_periodic.inp 2.456029 OK ( 0.49 sec) - graphite.inp -1.073313 OK ( 2.04 sec) - CH3OH_periodic_repeat.inp -4.871713 OK ( 0.58 sec) - graphite_REPEAT.inp 0.006058 OK ( 2.32 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-properties/resp (33 of 44) done in 12.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-nmr-2 (34 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-properties/resp + CH3OH_nonperiodic.inp 4.418291 OK ( 0.77 sec) + CH3OH_periodic.inp 2.456029 OK ( 0.69 sec) + graphite.inp -1.073313 OK ( 2.60 sec) + CH3OH_periodic_repeat.inp -4.871713 OK ( 0.63 sec) + graphite_REPEAT.inp 0.006058 OK ( 2.75 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-properties/resp (33 of 44) done in 13.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-nmr-2 (34 of 44) Running He_nmr_full.inp Running he2_bug_disp.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-nmr-2 - He_nmr_full.inp 0.198893E+03 OK ( 5.77 sec) - he2_bug_disp.inp 0.144732E+03 OK ( 1.31 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-nmr-2 (34 of 44) done in 10.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/SE/regtest-3-1 (35 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-nmr-2 + He_nmr_full.inp 0.198893E+03 OK ( 6.11 sec) + he2_bug_disp.inp 0.144732E+03 OK ( 1.38 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-nmr-2 (34 of 44) done in 10.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/SE/regtest-3-1 (35 of 44) Running H2O-MNDO-2.inp Running H-0.inp Running H2-0.inp Running H2.inp Running H2O-MNDO.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/SE/regtest-3-1 - H2O-MNDO-2.inp -351.42145109555821 OK ( 0.28 sec) - H-0.inp -0.319258384771667 OK ( 0.04 sec) - H2-0.inp -0.993280881213762 OK ( 0.10 sec) - H2.inp -0.037305167769230 OK ( 0.09 sec) - H2O-MNDO.inp -12.913048351744976 OK ( 0.45 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/SE/regtest-3-1 (35 of 44) done in 7.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-optbas (36 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/SE/regtest-3-1 + H2O-MNDO-2.inp -351.42145109555821 OK ( 0.32 sec) + H-0.inp -0.319258384771667 OK ( 0.06 sec) + H2-0.inp -0.993280881213762 OK ( 0.12 sec) + H2.inp -0.037305167769230 OK ( 0.11 sec) + H2O-MNDO.inp -12.913048351744976 OK ( 0.59 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/SE/regtest-3-1 (35 of 44) done in 7.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-optbas (36 of 44) Running H2O-ref.inp Running opt-1.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-optbas - H2O-ref.inp -17.02896601301688 OK ( 1.61 sec) - opt-1.inp -.46916005E+03 NEW ( 5.86 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-optbas (36 of 44) done in 10.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-linearscaling (37 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-optbas + H2O-ref.inp -17.02896601301688 OK ( 1.98 sec) + opt-1.inp -.46916005E+03 NEW ( 8.22 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-optbas (36 of 44) done in 13.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-linearscaling (37 of 44) Running test-shrt.inp Running w3-filter.inp Running w3-filter-2.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-linearscaling - test-shrt.inp - OK ( 0.70 sec) - w3-filter.inp -51.14051790872431 OK ( 1.11 sec) - w3-filter-2.inp -78.30555080270783 OK ( 0.39 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-linearscaling (37 of 44) done in 6.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/SWARM/regtest-glbopt-1 (38 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-linearscaling + test-shrt.inp - OK ( 1.04 sec) + w3-filter.inp -51.14051790872431 OK ( 1.37 sec) + w3-filter-2.inp -78.30555080270783 OK ( 0.58 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-linearscaling (37 of 44) done in 7.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/SWARM/regtest-glbopt-1 (38 of 44) Running LJ10_minhop_1.inp Running LJ10_minhop_2.inp Running LJ10_mincrawl_1.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/SWARM/regtest-glbopt-1 - LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.23 sec) - LJ10_minhop_2.inp -0.28421844E-01 OK ( 0.14 sec) - LJ10_mincrawl_1.inp -0.28422283E-01 OK ( 0.78 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/SWARM/regtest-glbopt-1 (38 of 44) done in 5.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/TAMC/regtest (39 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/SWARM/regtest-glbopt-1 + LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.34 sec) + LJ10_minhop_2.inp -0.28421844E-01 OK ( 0.21 sec) + LJ10_mincrawl_1.inp -0.28422283E-01 OK ( 1.27 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/SWARM/regtest-glbopt-1 (38 of 44) done in 6.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/TAMC/regtest (39 of 44) Running dimer.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/TAMC/regtest - dimer.inp -31.330007128403118 OK ( 4.98 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/TAMC/regtest (39 of 44) done in 7.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-polar (40 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/TAMC/regtest + dimer.inp -31.330007128403118 OK ( 7.24 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/TAMC/regtest (39 of 44) done in 9.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-polar (40 of 44) Running h2o_LRraman.inp Running h2o_LRraman_noort.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-polar - h2o_LRraman.inp 0.00613 OK ( 0.55 sec) - h2o_LRraman_noort.inp 0.02330 OK ( 4.61 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-polar (40 of 44) done in 8.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-lsroks (41 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-polar + h2o_LRraman.inp 0.00613 OK ( 0.76 sec) + h2o_LRraman_noort.inp 0.02330 OK ( 7.26 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-polar (40 of 44) done in 11.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-lsroks (41 of 44) Running O2.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-lsroks - O2.inp -31.43642997805545 OK ( 2.46 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-lsroks (41 of 44) done in 5.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-lrigpw (42 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-lsroks + O2.inp -31.43642997805545 OK ( 3.59 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-lsroks (41 of 44) done in 6.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-lrigpw (42 of 44) Running C11H24-qmmm-gauss-0-lrigpw.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-lrigpw - C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026096128 OK ( 2.22 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QMMM/QS/regtest-lrigpw (42 of 44) done in 4.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/FE/regtest-2 (43 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-lrigpw + C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026096128 OK ( 2.83 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QMMM/QS/regtest-lrigpw (42 of 44) done in 5.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/FE/regtest-2 (43 of 44) Running Solv_alch_chng.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/FE/regtest-2 - Solv_alch_chng.inp -0.732003926645E+01 OK ( 3.02 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/FE/regtest-2 (43 of 44) done in 5.00 sec -Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-fftw (44 of 44) +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/FE/regtest-2 + Solv_alch_chng.inp -0.732003926645E+01 OK ( 4.34 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/FE/regtest-2 (43 of 44) done in 6.00 sec +Starting regression tests in /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-fftw (44 of 44) Running H2-big-1.inp ->>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-fftw - H2-big-1.inp -28.149134409273060 OK ( 1.56 sec) -<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/tests/QS/regtest-fftw (44 of 44) done in 4.00 sec +>>> /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-fftw + H2-big-1.inp -28.149134409273060 OK ( 1.96 sec) +<<< /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/tests/QS/regtest-fftw (44 of 44) done in 4.00 sec -------------------------------------------------------------------------- -------------------------------------------------------------------------- - regtesting location summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/summary.txt - regtesting location error_summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/error_summary - regtesting location memory_summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48/memory_summary - regtesting location output dir: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2022-02-17_16-38-48 + regtesting location summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/summary.txt + regtesting location error_summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/error_summary + regtesting location memory_summary file: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46/memory_summary + regtesting location output dir: /build/cp2k-6.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-popt-2021-01-16_14-01-46 regtesting location last dir: /build/cp2k-6.1/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-popt --------------------------------- Summary -------------------------------- Number of FAILED tests 0 @@ -37138,9 +37172,9 @@ Total number of tests 336 GREPME 0 0 335 1 336 X -------------------------------------------------------------------------- -Regtest took 1643.00 seconds. +Regtest took 3328.00 seconds. -------------------------------------------------------------------------- -Thu Feb 17 17:06:10 -12 2022 +Sat Jan 16 14:57:13 +14 2021 *************************** testing ended ******************************** make[1]: Leaving directory '/build/cp2k-6.1' create-stamp debian/debhelper-build-stamp @@ -37162,18 +37196,18 @@ dh_strip dh_makeshlibs dh_shlibdeps -dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/cp2k/usr/bin/cp2k_shell.popt debian/cp2k/usr/bin/cp2k.popt were not linked against libmpi.so.40 (they use none of the library's symbols) -dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/cp2k/usr/bin/cp2k_shell.popt debian/cp2k/usr/bin/cp2k.popt were not linked against libquadmath.so.0 (they use none of the library's symbols) -dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/cp2k/usr/bin/cp2k_shell.popt debian/cp2k/usr/bin/cp2k.popt were not linked against libmpi_usempi_ignore_tkr.so.40 (they use none of the library's symbols) -dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/cp2k/usr/bin/cp2k_shell.popt debian/cp2k/usr/bin/cp2k.popt were not linked against libmpi_usempif08.so.40 (they use none of the library's symbols) -dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/cp2k/usr/bin/cp2k_shell.popt debian/cp2k/usr/bin/cp2k.popt were not linked against libxc.so.5 (they use none of the library's symbols) +dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/cp2k/usr/bin/cp2k.popt debian/cp2k/usr/bin/cp2k_shell.popt were not linked against libmpi.so.40 (they use none of the library's symbols) +dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/cp2k/usr/bin/cp2k.popt debian/cp2k/usr/bin/cp2k_shell.popt were not linked against libquadmath.so.0 (they use none of the library's symbols) +dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/cp2k/usr/bin/cp2k.popt debian/cp2k/usr/bin/cp2k_shell.popt were not linked against libmpi_usempi_ignore_tkr.so.40 (they use none of the library's symbols) +dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/cp2k/usr/bin/cp2k.popt debian/cp2k/usr/bin/cp2k_shell.popt were not linked against libmpi_usempif08.so.40 (they use none of the library's symbols) +dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/cp2k/usr/bin/cp2k.popt debian/cp2k/usr/bin/cp2k_shell.popt were not linked against libxc.so.5 (they use none of the library's symbols) dh_installdeb dh_gencontrol dpkg-gencontrol: warning: Depends field of package cp2k-data: substitution variable ${shlibs:Depends} used, but is not defined dh_md5sums dh_builddeb -dpkg-deb: building package 'cp2k' in '../cp2k_6.1-2_amd64.deb'. dpkg-deb: building package 'cp2k-data' in '../cp2k-data_6.1-2_all.deb'. +dpkg-deb: building package 'cp2k' in '../cp2k_6.1-2_amd64.deb'. dpkg-deb: building package 'cp2k-dbgsym' in '../cp2k-dbgsym_6.1-2_amd64.deb'. dpkg-genbuildinfo --build=binary dpkg-genchanges --build=binary >../cp2k_6.1-2_amd64.changes @@ -37181,12 +37215,14 @@ dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) I: copying local configuration +I: user script /srv/workspace/pbuilder/51430/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/51430/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/3857 and its subdirectories -I: Current time: Thu Feb 17 17:07:10 -12 2022 -I: pbuilder-time-stamp: 1645160830 +I: removing directory /srv/workspace/pbuilder/51430 and its subdirectories +I: Current time: Sat Jan 16 14:58:58 +14 2021 +I: pbuilder-time-stamp: 1610758738