Sun Apr 30 09:42:55 UTC 2023 I: starting to build autodocksuite/bookworm/amd64 on jenkins on '2023-04-30 09:42' Sun Apr 30 09:42:55 UTC 2023 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/amd64_4/19706/console.log Sun Apr 30 09:42:55 UTC 2023 I: Downloading source for bookworm/autodocksuite=4.2.6-9 --2023-04-30 09:42:55-- http://cdn-fastly.deb.debian.org/debian/pool/main/a/autodocksuite/autodocksuite_4.2.6-9.dsc Connecting to 78.137.99.97:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2373 (2.3K) [text/prs.lines.tag] Saving to: ‘autodocksuite_4.2.6-9.dsc’ 0K .. 100% 151M=0s 2023-04-30 09:42:55 (151 MB/s) - ‘autodocksuite_4.2.6-9.dsc’ saved [2373/2373] Sun Apr 30 09:42:55 UTC 2023 I: autodocksuite_4.2.6-9.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: autodocksuite Binary: autodock, autogrid, autodock-test, autogrid-test, autodock-getdata Architecture: any all Version: 4.2.6-9 Maintainer: Debian Med Packaging Team Uploaders: Steffen Moeller , Andreas Tille , Thorsten Alteholz Homepage: http://autodock.scripps.edu/ Standards-Version: 4.6.0 Vcs-Browser: https://salsa.debian.org/med-team/autodocksuite Vcs-Git: https://salsa.debian.org/med-team/autodocksuite.git Testsuite: autopkgtest Testsuite-Triggers: python3 Build-Depends: debhelper-compat (= 13), python3 Package-List: autodock deb science optional arch=any autodock-getdata deb science optional arch=all autodock-test deb science optional arch=all autogrid deb science optional arch=any autogrid-test deb science optional arch=all Checksums-Sha1: 84cc69d93a391544138de138f93a446b48c3f95b 35438010 autodocksuite_4.2.6.orig.tar.gz ad2fd72fc81a66a0807df96aad60159c03bb226a 18988 autodocksuite_4.2.6-9.debian.tar.xz Checksums-Sha256: 4b24ce4baf216a5e1a6a79bb664eeed684aed17cede64ff0061aa1bcc17874c4 35438010 autodocksuite_4.2.6.orig.tar.gz 1deeed3855c4aaeb8677d55a7413bd1292a4f1100998a55a197780dce9481e0a 18988 autodocksuite_4.2.6-9.debian.tar.xz Files: f4942c8e8c47aca7f3a2ae8794259067 35438010 autodocksuite_4.2.6.orig.tar.gz 45256d3fed133c9693d287eee5965a47 18988 autodocksuite_4.2.6-9.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQJEBAEBCgAvFiEE8fAHMgoDVUHwpmPKV4oElNHGRtEFAmISEWcRHHRpbGxlQGRl Ymlhbi5vcmcACgkQV4oElNHGRtFFbw/3cju39rtKRZHo0V23A+bkSnsPmE+8Pcn4 oSujdFIfDzShpqNFFM2Rm0u5kMqoU2ptU1uD1YQKEs1OGVJel51i9D15TU6rcOS4 QY1Butg2UKelhZE5Iq4zbkjPEmBr2IIiW+8HFYk68/aePyhJNrQPzi8/pIOVxkAj PzFWzzcIwEOfoGfwuulKdrRFfiYdE89DM0KE+CaRTj7M0RBei6hn5f9nZQ6mAncG n/JCLpSte4MhyglrSxEZfrD9Ms8Q/xUlxfHfTlesAjm5y3zsLOeEEbpKvI/AHY/Z t9LC+N7cKeIEViTsnBXFP0k6EJpl5lTfS+owwWB6BJ2/tgMRlExi7k9N/CBk6XL+ zw2WpaYlo03zLc2+He2WQAX6Ln+9sJ+gUDe/rXAxzTF23W9ZE/acw9I0XRHiUYHO O6p2UV3/TU4OxkkwuEj7PZuZOLq1rMEQsx6oc3MHAck+TINqCZJwo3k0rvl6eUVZ cyANoRYSxfZbAFckWbhlLlAEVtbI5HNW4fAHHsXy1RIRSKQtkUxVkB4Du68jnvP7 8oq0kTEpMY/3Ak3T+sieDwnkKtYbnQfEEOsAFUYnkI59sLKO3X2uubJ0N535GooI eb9M4B/DCBXY3cnoJGILz+4yV29UtPMRDLUeVvQYI4VIQzeZlPgxydhAxTIwy3vG YgaVlP9KhA== =/nj5 -----END PGP SIGNATURE----- Sun Apr 30 09:42:55 UTC 2023 I: Checking whether the package is not for us Sun Apr 30 09:42:55 UTC 2023 I: Starting 1st build on remote node ionos15-amd64.debian.net. Sun Apr 30 09:42:55 UTC 2023 I: Preparing to do remote build '1' on ionos15-amd64.debian.net. Sun Apr 30 09:50:51 UTC 2023 I: Deleting $TMPDIR on ionos15-amd64.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Sat Jun 1 04:06:01 -12 2024 I: pbuilder-time-stamp: 1717257961 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/bookworm-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [autodocksuite_4.2.6-9.dsc] I: copying [./autodocksuite_4.2.6.orig.tar.gz] I: copying [./autodocksuite_4.2.6-9.debian.tar.xz] I: Extracting source gpgv: Signature made Sat Feb 19 22:01:11 2022 -12 gpgv: using RSA key F1F007320A035541F0A663CA578A0494D1C646D1 gpgv: issuer "tille@debian.org" gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./autodocksuite_4.2.6-9.dsc: no acceptable signature found dpkg-source: info: extracting autodocksuite in autodocksuite-4.2.6 dpkg-source: info: unpacking autodocksuite_4.2.6.orig.tar.gz dpkg-source: info: unpacking autodocksuite_4.2.6-9.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying create_fake_autoreconf_files.patch dpkg-source: info: applying csh2bash.patch dpkg-source: info: applying mayhem.patch dpkg-source: info: applying 2to3.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/3374011/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='bookworm' HOME='/root' HOST_ARCH='amd64' IFS=' ' INVOCATION_ID='2ebf4178c7d345dc86c7d1cfd62b1baa' 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='3374011' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.1HsXfkC0/pbuilderrc_Tmvf --distribution bookworm --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.1HsXfkC0/b1 --logfile b1/build.log autodocksuite_4.2.6-9.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' I: uname -a Linux ionos15-amd64 6.1.0-0.deb11.6-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.15-1~bpo11+1 (2023-03-16) x86_64 GNU/Linux I: ls -l /bin total 5632 -rwxr-xr-x 1 root root 1265648 Apr 23 2023 bash -rwxr-xr-x 3 root root 39224 Sep 18 2022 bunzip2 -rwxr-xr-x 3 root root 39224 Sep 18 2022 bzcat lrwxrwxrwx 1 root root 6 Sep 18 2022 bzcmp -> bzdiff -rwxr-xr-x 1 root root 2225 Sep 18 2022 bzdiff lrwxrwxrwx 1 root root 6 Sep 18 2022 bzegrep -> bzgrep -rwxr-xr-x 1 root root 4893 Nov 27 2021 bzexe lrwxrwxrwx 1 root root 6 Sep 18 2022 bzfgrep -> bzgrep -rwxr-xr-x 1 root root 3775 Sep 18 2022 bzgrep -rwxr-xr-x 3 root root 39224 Sep 18 2022 bzip2 -rwxr-xr-x 1 root root 14568 Sep 18 2022 bzip2recover lrwxrwxrwx 1 root root 6 Sep 18 2022 bzless -> bzmore -rwxr-xr-x 1 root root 1297 Sep 18 2022 bzmore -rwxr-xr-x 1 root root 44016 Sep 20 2022 cat -rwxr-xr-x 1 root root 68656 Sep 20 2022 chgrp -rwxr-xr-x 1 root root 64496 Sep 20 2022 chmod -rwxr-xr-x 1 root root 72752 Sep 20 2022 chown -rwxr-xr-x 1 root root 151152 Sep 20 2022 cp -rwxr-xr-x 1 root root 125640 Jan 5 2023 dash -rwxr-xr-x 1 root root 121904 Sep 20 2022 date -rwxr-xr-x 1 root root 89240 Sep 20 2022 dd -rwxr-xr-x 1 root root 102200 Sep 20 2022 df -rwxr-xr-x 1 root root 151344 Sep 20 2022 dir -rwxr-xr-x 1 root root 88656 Mar 22 2023 dmesg lrwxrwxrwx 1 root root 8 Dec 19 2022 dnsdomainname -> hostname lrwxrwxrwx 1 root root 8 Dec 19 2022 domainname -> hostname -rwxr-xr-x 1 root root 43856 Sep 20 2022 echo -rwxr-xr-x 1 root root 41 Jan 24 2023 egrep -rwxr-xr-x 1 root root 35664 Sep 20 2022 false -rwxr-xr-x 1 root root 41 Jan 24 2023 fgrep -rwxr-xr-x 1 root root 85600 Mar 22 2023 findmnt -rwsr-xr-x 1 root root 35128 Mar 22 2023 fusermount -rwxr-xr-x 1 root root 203152 Jan 24 2023 grep -rwxr-xr-x 2 root root 2346 Apr 9 2022 gunzip -rwxr-xr-x 1 root root 6447 Apr 9 2022 gzexe -rwxr-xr-x 1 root root 98136 Apr 9 2022 gzip -rwxr-xr-x 1 root root 22680 Dec 19 2022 hostname -rwxr-xr-x 1 root root 72824 Sep 20 2022 ln -rwxr-xr-x 1 root root 53024 Mar 23 2023 login -rwxr-xr-x 1 root root 151344 Sep 20 2022 ls -rwxr-xr-x 1 root root 207168 Mar 22 2023 lsblk -rwxr-xr-x 1 root root 97552 Sep 20 2022 mkdir -rwxr-xr-x 1 root root 72912 Sep 20 2022 mknod -rwxr-xr-x 1 root root 43952 Sep 20 2022 mktemp -rwxr-xr-x 1 root root 59712 Mar 22 2023 more -rwsr-xr-x 1 root root 59704 Mar 22 2023 mount -rwxr-xr-x 1 root root 18744 Mar 22 2023 mountpoint -rwxr-xr-x 1 root root 142968 Sep 20 2022 mv lrwxrwxrwx 1 root root 8 Dec 19 2022 nisdomainname -> hostname lrwxrwxrwx 1 root root 14 Apr 2 2023 pidof -> /sbin/killall5 -rwxr-xr-x 1 root root 43952 Sep 20 2022 pwd lrwxrwxrwx 1 root root 4 Apr 23 2023 rbash -> bash -rwxr-xr-x 1 root root 52112 Sep 20 2022 readlink -rwxr-xr-x 1 root root 72752 Sep 20 2022 rm -rwxr-xr-x 1 root root 56240 Sep 20 2022 rmdir -rwxr-xr-x 1 root root 27560 Nov 2 2022 run-parts -rwxr-xr-x 1 root root 126424 Jan 5 2023 sed lrwxrwxrwx 1 root root 4 Jan 5 2023 sh -> dash -rwxr-xr-x 1 root root 43888 Sep 20 2022 sleep -rwxr-xr-x 1 root root 85008 Sep 20 2022 stty -rwsr-xr-x 1 root root 72000 Mar 22 2023 su -rwxr-xr-x 1 root root 39824 Sep 20 2022 sync -rwxr-xr-x 1 root root 531984 Apr 6 2023 tar -rwxr-xr-x 1 root root 14520 Nov 2 2022 tempfile -rwxr-xr-x 1 root root 109616 Sep 20 2022 touch -rwxr-xr-x 1 root root 35664 Sep 20 2022 true -rwxr-xr-x 1 root root 14568 Mar 22 2023 ulockmgr_server -rwsr-xr-x 1 root root 35128 Mar 22 2023 umount -rwxr-xr-x 1 root root 43888 Sep 20 2022 uname -rwxr-xr-x 2 root root 2346 Apr 9 2022 uncompress -rwxr-xr-x 1 root root 151344 Sep 20 2022 vdir -rwxr-xr-x 1 root root 72024 Mar 22 2023 wdctl lrwxrwxrwx 1 root root 8 Dec 19 2022 ypdomainname -> hostname -rwxr-xr-x 1 root root 1984 Apr 9 2022 zcat -rwxr-xr-x 1 root root 1678 Apr 9 2022 zcmp -rwxr-xr-x 1 root root 6460 Apr 9 2022 zdiff -rwxr-xr-x 1 root root 29 Apr 9 2022 zegrep -rwxr-xr-x 1 root root 29 Apr 9 2022 zfgrep -rwxr-xr-x 1 root root 2081 Apr 9 2022 zforce -rwxr-xr-x 1 root root 8103 Apr 9 2022 zgrep -rwxr-xr-x 1 root root 2206 Apr 9 2022 zless -rwxr-xr-x 1 root root 1842 Apr 9 2022 zmore -rwxr-xr-x 1 root root 4577 Apr 9 2022 znew I: user script /srv/workspace/pbuilder/3374011/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: amd64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: debhelper-compat (= 13), python3 dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19596 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on python3; however: Package python3 is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bsdextrautils{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} dwz{a} file{a} gettext{a} gettext-base{a} groff-base{a} intltool-debian{a} libarchive-zip-perl{a} libdebhelper-perl{a} libelf1{a} libexpat1{a} libfile-stripnondeterminism-perl{a} libicu72{a} libmagic-mgc{a} libmagic1{a} libpipeline1{a} libpython3-stdlib{a} libpython3.11-minimal{a} libpython3.11-stdlib{a} libreadline8{a} libsub-override-perl{a} libtool{a} libuchardet0{a} libxml2{a} m4{a} man-db{a} media-types{a} po-debconf{a} python3{a} python3-minimal{a} python3.11{a} python3.11-minimal{a} readline-common{a} sensible-utils{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl libarchive-cpio-perl libltdl-dev libmail-sendmail-perl lynx wget 0 packages upgraded, 41 newly installed, 0 to remove and 0 not upgraded. Need to get 24.4 MB of archives. After unpacking 95.1 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian bookworm/main amd64 libpython3.11-minimal amd64 3.11.2-6 [813 kB] Get: 2 http://deb.debian.org/debian bookworm/main amd64 libexpat1 amd64 2.5.0-1 [99.3 kB] Get: 3 http://deb.debian.org/debian bookworm/main amd64 python3.11-minimal amd64 3.11.2-6 [2064 kB] Get: 4 http://deb.debian.org/debian bookworm/main amd64 python3-minimal amd64 3.11.2-1+b1 [26.3 kB] Get: 5 http://deb.debian.org/debian bookworm/main amd64 media-types all 10.0.0 [26.1 kB] Get: 6 http://deb.debian.org/debian bookworm/main amd64 readline-common all 8.2-1.3 [69.0 kB] Get: 7 http://deb.debian.org/debian bookworm/main amd64 libreadline8 amd64 8.2-1.3 [166 kB] Get: 8 http://deb.debian.org/debian bookworm/main amd64 libpython3.11-stdlib amd64 3.11.2-6 [1796 kB] Get: 9 http://deb.debian.org/debian bookworm/main amd64 python3.11 amd64 3.11.2-6 [572 kB] Get: 10 http://deb.debian.org/debian bookworm/main amd64 libpython3-stdlib amd64 3.11.2-1+b1 [9312 B] Get: 11 http://deb.debian.org/debian bookworm/main amd64 python3 amd64 3.11.2-1+b1 [26.3 kB] Get: 12 http://deb.debian.org/debian bookworm/main amd64 sensible-utils all 0.0.17+nmu1 [19.0 kB] Get: 13 http://deb.debian.org/debian bookworm/main amd64 libmagic-mgc amd64 1:5.44-3 [305 kB] Get: 14 http://deb.debian.org/debian bookworm/main amd64 libmagic1 amd64 1:5.44-3 [104 kB] Get: 15 http://deb.debian.org/debian bookworm/main amd64 file amd64 1:5.44-3 [42.5 kB] Get: 16 http://deb.debian.org/debian bookworm/main amd64 gettext-base amd64 0.21-12 [160 kB] Get: 17 http://deb.debian.org/debian bookworm/main amd64 libuchardet0 amd64 0.0.7-1 [67.8 kB] Get: 18 http://deb.debian.org/debian bookworm/main amd64 groff-base amd64 1.22.4-10 [916 kB] Get: 19 http://deb.debian.org/debian bookworm/main amd64 bsdextrautils amd64 2.38.1-5+b1 [86.6 kB] Get: 20 http://deb.debian.org/debian bookworm/main amd64 libpipeline1 amd64 1.5.7-1 [38.5 kB] Get: 21 http://deb.debian.org/debian bookworm/main amd64 man-db amd64 2.11.2-2 [1386 kB] Get: 22 http://deb.debian.org/debian bookworm/main amd64 m4 amd64 1.4.19-3 [287 kB] Get: 23 http://deb.debian.org/debian bookworm/main amd64 autoconf all 2.71-3 [332 kB] Get: 24 http://deb.debian.org/debian bookworm/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 25 http://deb.debian.org/debian bookworm/main amd64 automake all 1:1.16.5-1.3 [823 kB] Get: 26 http://deb.debian.org/debian bookworm/main amd64 autopoint all 0.21-12 [495 kB] Get: 27 http://deb.debian.org/debian bookworm/main amd64 libdebhelper-perl all 13.11.4 [81.2 kB] Get: 28 http://deb.debian.org/debian bookworm/main amd64 libtool all 2.4.7-5 [517 kB] Get: 29 http://deb.debian.org/debian bookworm/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 30 http://deb.debian.org/debian bookworm/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 31 http://deb.debian.org/debian bookworm/main amd64 libsub-override-perl all 0.09-4 [9304 B] Get: 32 http://deb.debian.org/debian bookworm/main amd64 libfile-stripnondeterminism-perl all 1.13.1-1 [19.4 kB] Get: 33 http://deb.debian.org/debian bookworm/main amd64 dh-strip-nondeterminism all 1.13.1-1 [8620 B] Get: 34 http://deb.debian.org/debian bookworm/main amd64 libelf1 amd64 0.188-2.1 [174 kB] Get: 35 http://deb.debian.org/debian bookworm/main amd64 dwz amd64 0.15-1 [109 kB] Get: 36 http://deb.debian.org/debian bookworm/main amd64 libicu72 amd64 72.1-3 [9376 kB] Get: 37 http://deb.debian.org/debian bookworm/main amd64 libxml2 amd64 2.9.14+dfsg-1.2 [687 kB] Get: 38 http://deb.debian.org/debian bookworm/main amd64 gettext amd64 0.21-12 [1300 kB] Get: 39 http://deb.debian.org/debian bookworm/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 40 http://deb.debian.org/debian bookworm/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 41 http://deb.debian.org/debian bookworm/main amd64 debhelper all 13.11.4 [942 kB] Fetched 24.4 MB in 1s (34.5 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.11-minimal: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 ... 19596 files and directories currently installed.) Preparing to unpack .../libpython3.11-minimal_3.11.2-6_amd64.deb ... Unpacking libpython3.11-minimal:amd64 (3.11.2-6) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.5.0-1_amd64.deb ... Unpacking libexpat1:amd64 (2.5.0-1) ... Selecting previously unselected package python3.11-minimal. Preparing to unpack .../python3.11-minimal_3.11.2-6_amd64.deb ... Unpacking python3.11-minimal (3.11.2-6) ... Setting up libpython3.11-minimal:amd64 (3.11.2-6) ... Setting up libexpat1:amd64 (2.5.0-1) ... Setting up python3.11-minimal (3.11.2-6) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19912 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.11.2-1+b1_amd64.deb ... Unpacking python3-minimal (3.11.2-1+b1) ... Selecting previously unselected package media-types. Preparing to unpack .../1-media-types_10.0.0_all.deb ... Unpacking media-types (10.0.0) ... Selecting previously unselected package readline-common. Preparing to unpack .../2-readline-common_8.2-1.3_all.deb ... Unpacking readline-common (8.2-1.3) ... Selecting previously unselected package libreadline8:amd64. Preparing to unpack .../3-libreadline8_8.2-1.3_amd64.deb ... Unpacking libreadline8:amd64 (8.2-1.3) ... Selecting previously unselected package libpython3.11-stdlib:amd64. Preparing to unpack .../4-libpython3.11-stdlib_3.11.2-6_amd64.deb ... Unpacking libpython3.11-stdlib:amd64 (3.11.2-6) ... Selecting previously unselected package python3.11. Preparing to unpack .../5-python3.11_3.11.2-6_amd64.deb ... Unpacking python3.11 (3.11.2-6) ... Selecting previously unselected package libpython3-stdlib:amd64. Preparing to unpack .../6-libpython3-stdlib_3.11.2-1+b1_amd64.deb ... Unpacking libpython3-stdlib:amd64 (3.11.2-1+b1) ... Setting up python3-minimal (3.11.2-1+b1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20346 files and directories currently installed.) Preparing to unpack .../00-python3_3.11.2-1+b1_amd64.deb ... Unpacking python3 (3.11.2-1+b1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../01-sensible-utils_0.0.17+nmu1_all.deb ... 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Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/autodocksuite-4.2.6/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../autodocksuite_4.2.6-9_source.changes dpkg-buildpackage: info: source package autodocksuite dpkg-buildpackage: info: source version 4.2.6-9 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Andreas Tille dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 debian/rules clean dh clean debian/rules override_dh_auto_clean make[1]: Entering directory '/build/autodocksuite-4.2.6' dh_auto_clean --sourcedirectory=autodock dh_auto_clean --sourcedirectory=autogrid rm -rf autodock/usr autogrid/usr rm -rf autodock/compile autogrid/compile rm -rf autogrid/mingw_* autogrid/parse_param_line.* autogrid/printdate.* autogrid/printhms.* autogrid/read_parameter_library* autogrid/stop.* autogrid/timesys* if [ -d debian/autodock_save ] ; then mv debian/autodock_save/* autodock; rmdir debian/autodock_save ; fi if [ -d debian/autogrid_save ] ; then mv debian/autogrid_save/* autogrid; rmdir debian/autogrid_save ; fi # remove test results rm -rf autodock/Tests/popfile autodock/Tests/test_1pgp*.dlg rm -rf autodock_testresults rm -rf autogrid/Tests/hsg1_sm.*.map autogrid/Tests/hsg1_sm.glg autogrid/Tests/hsg1_sm.maps* autogrid/Tests/test_x1* autogrid/Tests/x1hpv.*.map autogrid/Tests/x1hpv.maps.* rm -rf autogrid_testresults find . -name "*.pyc" -delete make[1]: Leaving directory '/build/autodocksuite-4.2.6' dh_clean debian/rules binary dh binary dh_update_autotools_config dh_autoreconf debian/rules override_dh_auto_configure make[1]: Entering directory '/build/autodocksuite-4.2.6' mkdir -p debian/autodock_save cd autodock && cp -a Makefile.in aclocal.m4 config.guess config.sub configure ../debian/autodock_save && autoreconf -i configure.ac:36: warning: The macro `AC_HEADER_STDC' is obsolete. configure.ac:36: You should run autoupdate. ./lib/autoconf/headers.m4:704: AC_HEADER_STDC is expanded from... configure.ac:36: the top level configure.ac:36: installing './compile' dh_auto_configure --sourcedirectory=autodock cd autodock && ./configure --build=x86_64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/x86_64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes /build/autodocksuite-4.2.6/autodock/missing: Unknown '--is-lightweight' option Try '/build/autodocksuite-4.2.6/autodock/missing --help' for more information configure: WARNING: 'missing' script is too old or missing checking for a race-free mkdir -p... /bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking for gawk... (cached) mawk checking for g++... g++ checking whether the C++ compiler works... yes checking for C++ compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C++... yes checking whether g++ accepts -g... yes checking for g++ option to enable C++11 features... none needed checking whether make supports the include directive... yes (GNU style) checking dependency style of g++... none checking for ranlib... ranlib checking build system type... x86_64-pc-linux-gnu checking host system type... x86_64-pc-linux-gnu checking for gcc... gcc checking whether the compiler supports GNU C... yes checking whether gcc accepts -g... yes checking for gcc option to enable C11 features... none needed checking whether gcc understands -c and -o together... yes checking dependency style of gcc... none checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for grep that handles long lines and -e... /bin/grep checking for egrep... /bin/grep -E checking for _Bool... yes checking for stdbool.h that conforms to C99... yes checking for an ANSI C-conforming const... yes checking for inline... inline checking for size_t... yes checking whether struct tm is in sys/time.h or time.h... time.h checking for GNU libc compatible malloc... yes checking for gethostname... yes checking for getpid... yes checking for GetProcessId... no checking for fchmod... yes checking for setlinebuf... yes checking for sysconf... yes checking for times... yes checking for getrusage... yes checking for pow... no checking for sqrt... no checking for strncasecmp... yes checking whether the compiler supports GNU C++... (cached) yes checking whether g++ accepts -g... (cached) yes checking for g++ option to enable C++11 features... (cached) none needed checking dependency style of g++... (cached) none checking for g++ option to support OpenMP... -fopenmp checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating Makefile config.status: executing depfiles commands mkdir -p debian/autogrid_save cd autogrid && cp -a Makefile.in aclocal.m4 config.guess config.sub configure ../debian/autogrid_save && autoreconf -i configure.ac:27: warning: The macro `AC_HEADER_STDC' is obsolete. configure.ac:27: You should run autoupdate. ./lib/autoconf/headers.m4:704: AC_HEADER_STDC is expanded from... configure.ac:27: the top level configure.ac:24: installing './compile' dh_auto_configure --sourcedirectory=autogrid cd autogrid && ./configure --build=x86_64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/x86_64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes /build/autodocksuite-4.2.6/autogrid/missing: Unknown '--is-lightweight' option Try '/build/autodocksuite-4.2.6/autogrid/missing --help' for more information configure: WARNING: 'missing' script is too old or missing checking for a race-free mkdir -p... /bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking for g++... g++ checking whether the C++ compiler works... yes checking for C++ compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C++... yes checking whether g++ accepts -g... yes checking for g++ option to enable C++11 features... none needed checking whether make supports the include directive... yes (GNU style) checking dependency style of g++... none checking build system type... x86_64-pc-linux-gnu checking host system type... x86_64-pc-linux-gnu checking for gcc... gcc checking whether the compiler supports GNU C... yes checking whether gcc accepts -g... yes checking for gcc option to enable C11 features... none needed checking whether gcc understands -c and -o together... yes checking dependency style of gcc... none checking for sqrt in -lm... yes checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for grep that handles long lines and -e... /bin/grep checking for egrep... /bin/grep -E checking for _Bool... yes checking for stdbool.h that conforms to C99... yes checking for an ANSI C-conforming const... yes checking whether struct tm is in sys/time.h or time.h... time.h checking for GNU libc compatible malloc... yes checking for gethostname... yes checking for getpid... yes checking for GetProcessId... no checking for fchmod... yes checking for setlinebuf... yes checking for sysconf... yes checking for times... yes checking for getrusage... yes checking for pow... yes checking for sqrt... yes checking for strncasecmp... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating Makefile config.status: executing depfiles commands make[1]: Leaving directory '/build/autodocksuite-4.2.6' debian/rules override_dh_auto_build make[1]: Entering directory '/build/autodocksuite-4.2.6' dh_auto_build --sourcedirectory=autodock cd autodock && make -j16 make[2]: Entering directory '/build/autodocksuite-4.2.6/autodock' rm -f default_parameters.h sh ./paramdat2h.csh ./AD4_parameters.dat ./AD4.1_bound.dat > default_parameters.h make all-am make[3]: Entering directory '/build/autodocksuite-4.2.6/autodock' g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-main.o `test -f 'main.cc' || echo './'`main.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-alea.o `test -f 'alea.cc' || echo './'`alea.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-analysis.o `test -f 'analysis.cc' || echo './'`analysis.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-atom_parameter_manager.o `test -f 'atom_parameter_manager.cc' || echo './'`atom_parameter_manager.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-banner.o `test -f 'banner.cc' || echo './'`banner.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-bestpdb.o `test -f 'bestpdb.cc' || echo './'`bestpdb.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-calculateEnergies.o `test -f 'calculateEnergies.cc' || echo './'`calculateEnergies.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-call_glss.o `test -f 'call_glss.cc' || echo './'`call_glss.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-call_ls.o `test -f 'call_ls.cc' || echo './'`call_ls.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-center_ligand.o `test -f 'center_ligand.cc' || echo './'`center_ligand.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-changeState.o `test -f 'changeState.cc' || echo './'`changeState.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-check_header_float.o `test -f 'check_header_float.cc' || echo './'`check_header_float.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-check_header_int.o `test -f 'check_header_int.cc' || echo './'`check_header_int.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-check_header_line.o `test -f 'check_header_line.cc' || echo './'`check_header_line.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-cluster_analysis.o `test -f 'cluster_analysis.cc' || echo './'`cluster_analysis.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-clmode.o `test -f 'clmode.cc' || echo './'`clmode.cc main.cc:798:74: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time] 798 | (void) fprintf(logFile, " Compiled on %s at %s\n\n\n", __DATE__, __TIME__); | ^~~~~~~~ main.cc:798:84: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time] 798 | (void) fprintf(logFile, " Compiled on %s at %s\n\n\n", __DATE__, __TIME__); | ^~~~~~~~ main.cc:3490: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 3490 | #pragma omp parallel for \ | In file included from eval.h:38, from support.h:237, from ls.h:40, from call_ls.cc:40: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ bestpdb.cc: In function 'void bestpdb(int, const int*, const int (*)[2000], const Real*, const Real (*)[2048][3], const char (*)[128], int, Boole, const Real*, int, FILE*)': bestpdb.cc:58:19: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 58 | register int i=0, | ^ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ bestpdb.cc:59:19: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 59 | j=0, | ^ bestpdb.cc:60:19: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 60 | k=0, | ^ bestpdb.cc:61:19: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 61 | confnum=0; | ^~~~~~~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ In file included from qtransform.h:35, from cnv_state_to_coords.h:32, from analysis.cc:40: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ call_ls.cc: In function 'Representation** cnv_state_to_rep(const State&)': call_ls.cc:50:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 50 | register int i; | ^ analysis.cc: In function 'void analysis(int, int*, GroupEnergy*, int, const char (*)[128], const Real*, const Real*, const Real*, Boole, const Real&, const Real (*)[3], const EnergyTables*, MapType*, const Real*, int, int, const NonbondParam*, int, int, State*, const char*, const Real*, Boole, Boole, const int (*)[2048], const int*, const Real (*)[3], const char*, const Real&, Boole, int, const int*, Boole, const Real&, const Real&, const GridMapSetInfo*, Boole, Boole, Boole, Unbound_Model, Boole, int, int, FILE*)': analysis.cc:138:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 138 | register int i = 0; | ^ analysis.cc:139:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 139 | register int j = 0; | ^ analysis.cc:140:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 140 | register int k = 0; | ^ analysis.cc:141:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 141 | register int t = 0; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-cnv_state_to_coords.o `test -f 'cnv_state_to_coords.cc' || echo './'`cnv_state_to_coords.cc cluster_analysis.cc: In function 'int cluster_analysis(const Real&, int (*)[2000], int*, const int*, int, int, const int*, const Real (*)[2048][3], const Real (*)[3], const Real*, Real (*)[2000], Boole, Boole, Real (*)[3], int, Real*, Boole, int)': cluster_analysis.cc:61:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 61 | register int compare = 0, | ^~~~~~~ cluster_analysis.cc:62:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 62 | i = 0; | ^ In file included from changeState.cc:34: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ changeState.cc: In function 'State changeState(const State&, const Real&, const Real&, int, const Real (*)[8][2], const int*)': changeState.cc:46:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 46 | register int i; | ^ In file included from clmode.h:40, from clmode.cc:38: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ clmode.cc: In function 'void clmode(int, const Real&, const char*, const clock_t&, const tms&, Boole, const char*, const Real (*)[3], const Real*, Boole, Boole, const char*, Boole, int, int, FILE*)': clmode.cc:62:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 62 | register int xyz = 0; | ^~~ clmode.cc:89:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 89 | register int i = 0; | ^ clmode.cc:90:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 90 | register int j = 0; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-com.o `test -f 'com.cc' || echo './'`com.cc In file included from eval.h:38, from support.h:237, from gs.h:36, from call_glss.cc:40: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-conformation_sampler.o `test -f 'conformation_sampler.cc' || echo './'`conformation_sampler.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-dimLibrary.o `test -f 'dimLibrary.cc' || echo './'`dimLibrary.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-distdepdiel.o `test -f 'distdepdiel.cc' || echo './'`distdepdiel.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-stateLibrary.o `test -f 'stateLibrary.cc' || echo './'`stateLibrary.cc call_glss.cc: In function 'State call_glss(Global_Search*, Local_Search*, const State&, unsigned int, unsigned int, int, FILE*, const Output_pop_stats&, Molecule*, Eval*, Boole, Boole, Boole, const GridMapSetInfo*, const char*, int*)': call_glss.cc:259:27: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 259 | register unsigned int i; | ^ call_glss.cc:260:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 260 | register int j; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-readfield.o `test -f 'readfield.cc' || echo './'`readfield.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-readmap.o `test -f 'readmap.cc' || echo './'`readmap.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-readPDBQT.o `test -f 'readPDBQT.cc' || echo './'`readPDBQT.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-read_parameter_library.o `test -f 'read_parameter_library.cc' || echo './'`read_parameter_library.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-eval.o `test -f 'eval.cc' || echo './'`eval.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-gencau.o `test -f 'gencau.cc' || echo './'`gencau.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-getrms.o `test -f 'getrms.cc' || echo './'`getrms.cc com.cc:238: warning: ignoring '#pragma omp critical' [-Wunknown-pragmas] 238 | #pragma omp critical | g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-get_atom_type.o `test -f 'get_atom_type.cc' || echo './'`get_atom_type.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-getInitialState.o `test -f 'getInitialState.cc' || echo './'`getInitialState.cc In file included from stateLibrary.cc:34: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ stateLibrary.cc: In function 'void initialiseState(State*)': stateLibrary.cc:40:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 40 | register int i; | ^ stateLibrary.cc: In function 'void copyState(State*, const State&)': stateLibrary.cc:61:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 61 | register int i; | ^ stateLibrary.cc: In function 'void printState(FILE*, State, int)': stateLibrary.cc:90:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 90 | register int i; | ^ stateLibrary.cc: In function 'int checkState(FILE*, const State*)': stateLibrary.cc:199:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 199 | register int i; | ^ stateLibrary.cc: In function 'Molecule copyStateToMolecule(const State*, Molecule*)': stateLibrary.cc:251:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 251 | register int i; | ^ In file included from eval.h:38, from support.h:237, from conformation_sampler.h:29, from conformation_sampler.cc:27: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ In file included from qtransform.h:35, from cnv_state_to_coords.h:32, from cnv_state_to_coords.cc:37: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ In file included from eval.h:38, from support.h:237, from gs.h:36, from hybrids.h:40, from main.cc:98: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ conformation_sampler.cc: In constructor 'ConformationSampler::ConformationSampler(const State&, int, Eval*, int, FILE*)': conformation_sampler.cc:99:10: warning: variable 'base_q' set but not used [-Wunused-but-set-variable] 99 | Quat base_q = probe_point.readQuat(); | ^~~~~~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ In file included from eval.h:38, from support.h:237, from gs.h:36, from pso.h:4, from dimLibrary.cc:6: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ dimLibrary.cc: In function 'void copyDimension(State*, const Position&)': dimLibrary.cc:17:22: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 17 | register int i, j; | ^ dimLibrary.cc:17:25: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 17 | register int i, j; | ^ dimLibrary.cc: In function 'void copyState2Dimension(Position*, const State&)': dimLibrary.cc:34:22: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 34 | register int i, j; | ^ dimLibrary.cc:34:25: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 34 | register int i, j; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-getpdbcrds.o `test -f 'getpdbcrds.cc' || echo './'`getpdbcrds.cc In file included from eval.h:38, from eval.cc:39: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ main.cc: In function 'int main(int, const char**)': main.cc:480:14: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 480 | register int i = 0; | ^ main.cc:481:14: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 481 | register int j = 0; | ^ main.cc:482:14: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 482 | register int k = 0; | ^ main.cc:484:14: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 484 | register int xyz = 0; | ^~~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ readmap.cc: In function 'Statistics readmap(char*, int, const clock_t&, const tms&, Boole, Boole*, int, const GridMapSetInfo*, MapType*, char, FILE*)': readmap.cc:82:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 82 | register int xyz = 0; | ^~~ readmap.cc:83:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 83 | register int i = 0; | ^ readmap.cc:84:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 84 | register int j = 0; | ^ readmap.cc:85:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 85 | register int k = 0; | ^ eval.cc: In function 'void make_state_from_rep(const Representation* const*, State*, int, FILE*)': eval.cc:72:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 72 | register int i; | ^ eval.cc: In member function 'double Eval::eval(int)': eval.cc:135:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 135 | register int i; | ^ read_parameter_library.cc: In function 'void setup_parameter_library(FILE*, int, const char*, Unbound_Model, Linear_FE_Model*)': read_parameter_library.cc:207:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 207 | register int counter = 0; | ^~~~~~~ getrms.cc: In function 'Real getrms(const Real (*)[3], const Real (*)[3], Boole, Boole, int, const int*, Boole, int)': getrms.cc:48:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 48 | register int i, j, xyz; | ^ getrms.cc:48:21: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 48 | register int i, j, xyz; | ^ getrms.cc:48:24: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 48 | register int i, j, xyz; | ^~~ get_atom_type.cc: In function 'int get_atom_type(const char*)': get_atom_type.cc:53:9: warning: variable 'bond_index' set but not used [-Wunused-but-set-variable] 53 | int bond_index = -1; | ^~~~~~~~~~ readPDBQT.cc: In function 'Molecule readPDBQT(char*, int, int*, Real (*)[3], Real*, Boole*, int*, int*, char (*)[5], char*, char*, Boole, char (*)[128], int*, int*, Boole*, int*, int*, Real*, Real*, int*, int*, int (*)[2048], Real (*)[3], int*, int*, NonbondParam*, const clock_t&, const tms&, const char*, int*, int*, int, char (*)[256], int*, int, int, FILE*)': readPDBQT.cc:138:25: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 138 | register int i = 0; | ^ readPDBQT.cc:139:25: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 139 | register int j = 0; | ^ readfield.cc: In function 'void readfield(GridMapSetInfo*, char*, const clock_t&, const tms&, int, FILE*)': readfield.cc:49:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 49 | register int i = 0; | ^ readPDBQT.cc:133:25: warning: variable 'B_has_conect_records' set but not used [-Wunused-but-set-variable] 133 | Boole B_has_conect_records = FALSE; | ^~~~~~~~~~~~~~~~~~~~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-gs.o `test -f 'gs.cc' || echo './'`gs.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-initautodock.o `test -f 'initautodock.cc' || echo './'`initautodock.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-input_state.o `test -f 'input_state.cc' || echo './'`input_state.cc In file included from getInitialState.h:31, from getInitialState.cc:38: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ getInitialState.cc: In function 'void getInitialState(Real*, const Real&, State*, State*, State*, Boole, Boole, Boole, const Real*, const Real*, const Real*, Real (*)[3], const Real (*)[3], const char (*)[128], EnergyComponent*, const EnergyTables*, Boole, MapType*, int, int, int*, GroupEnergy*, int, const NonbondParam*, int, const int (*)[2048], const int*, const Real (*)[3], int, int, const Real&, int, const int*, Boole, const Real&, const Real&, const Real&, const GridMapSetInfo*, Boole, Boole, Unbound_Model, int, FILE*)': getInitialState.cc:111:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 111 | register int i = 0; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-investigate.o `test -f 'investigate.cc' || echo './'`investigate.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-linpack.o `test -f 'linpack.cc' || echo './'`linpack.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-ls.o `test -f 'ls.cc' || echo './'`ls.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-mapping.o `test -f 'mapping.cc' || echo './'`mapping.cc readfield.cc:83:17: warning: ignoring return value of 'char* fgets(char*, int, FILE*)' declared with attribute 'warn_unused_result' [-Wunused-result] 83 | (void) fgets(inputline, LINE_LEN, fldFile); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ readfield.cc:108:17: warning: ignoring return value of 'char* fgets(char*, int, FILE*)' declared with attribute 'warn_unused_result' [-Wunused-result] 108 | (void) fgets(inputline, LINE_LEN, fldFile); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ readfield.cc:116:17: warning: ignoring return value of 'char* fgets(char*, int, FILE*)' declared with attribute 'warn_unused_result' [-Wunused-result] 116 | (void) fgets(inputline, LINE_LEN, fldFile); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ readfield.cc:123:17: warning: ignoring return value of 'char* fgets(char*, int, FILE*)' declared with attribute 'warn_unused_result' [-Wunused-result] 123 | (void) fgets(inputline, LINE_LEN, fldFile); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-mingw_getrusage.o `test -f 'mingw_getrusage.cc' || echo './'`mingw_getrusage.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-minmeanmax.o `test -f 'minmeanmax.cc' || echo './'`minmeanmax.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-mkNewState.o `test -f 'mkNewState.cc' || echo './'`mkNewState.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-mkTorTree.o `test -f 'mkTorTree.cc' || echo './'`mkTorTree.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-mkRandomState.o `test -f 'mkRandomState.cc' || echo './'`mkRandomState.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-nonbonds.o `test -f 'nonbonds.cc' || echo './'`nonbonds.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-openfile.o `test -f 'openfile.cc' || echo './'`openfile.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-output_state.o `test -f 'output_state.cc' || echo './'`output_state.cc In file included from eval.h:38, from support.h:237, from gs.h:36, from gs.cc:42: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-parse_dpf_line.o `test -f 'parse_dpf_line.cc' || echo './'`parse_dpf_line.cc gs.cc: In function 'double worst_in_window(const double*, int, int, FILE*)': gs.cc:73:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 73 | register int i; | ^ gs.cc: In function 'double avg_in_window(const double*, int, FILE*)': gs.cc:107:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 107 | register int i; | ^ gs.cc: In member function 'double Genetic_Algorithm::worst_this_generation(const Population&, int, FILE*)': gs.cc:130:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 130 | register unsigned int i; | ^ gs.cc: In member function 'void Genetic_Algorithm::make_table(int, const Real&, int, FILE*)': gs.cc:287:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 287 | register int i, j; | ^ gs.cc:287:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 287 | register int i, j; | ^ In file included from eval.h:38, from support.h:237, from minmeanmax.cc:39: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ gs.cc: In member function 'void Genetic_Algorithm::initialize(unsigned int, unsigned int, int, FILE*)': gs.cc:396:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 396 | register unsigned int i; | ^ In file included from eval.h:38, from support.h:237, from ls.h:40, from ls.cc:40: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ gs.cc: In member function 'void Genetic_Algorithm::crossover(Population&, int, FILE*)': gs.cc:596:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 596 | register unsigned int i; | ^ In file included from constants.h:28, from structs.h:30, from rep.h:45, from support.h:236: autocomm.h:166:60: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 166 | #define assertQuatOK( q ) {fflush(logFile);register double aQOK_mag4 = hypotenuse4( (q).x, (q).y, (q).z, (q).w ); assert((aQOK_mag4 > ONE_MINUS_EPSILON) && (aQOK_mag4 < ONE_PLUS_EPSILON)); } | ^~~~~~~~~ gs.cc:641:10: note: in expansion of macro 'assertQuatOK' 641 | assertQuatOK( q_father ); | ^~~~~~~~~~~~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ In file included from input_state.h:30, from input_state.cc:34: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ autocomm.h:166:60: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 166 | #define assertQuatOK( q ) {fflush(logFile);register double aQOK_mag4 = hypotenuse4( (q).x, (q).y, (q).z, (q).w ); assert((aQOK_mag4 > ONE_MINUS_EPSILON) && (aQOK_mag4 < ONE_PLUS_EPSILON)); } | ^~~~~~~~~ gs.cc:652:10: note: in expansion of macro 'assertQuatOK' 652 | assertQuatOK( q_mother ); | ^~~~~~~~~~~~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-parse_param_line.o `test -f 'parse_param_line.cc' || echo './'`parse_param_line.cc eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ gs.cc: In member function 'void Genetic_Algorithm::crossover_arithmetic(Genotype&, Genotype&, const Real&, int, FILE*)': gs.cc:877:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 877 | register unsigned int i; | ^ gs.cc: In member function 'void Genetic_Algorithm::selection_proportional(Population&, Individual*, int, FILE*)': gs.cc:983:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 983 | register unsigned int i=0, start_index = 0; | ^ gs.cc:983:31: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 983 | register unsigned int i=0, start_index = 0; | ^~~~~~~~~~~ minmeanmax.cc: In function 'void minmeanmax(FILE*, const Population&, int, const GridMapSetInfo*)': minmeanmax.cc:51:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 51 | register int i=0, g=0, b=0; | ^ minmeanmax.cc:51:22: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 51 | register int i=0, g=0, b=0; | ^ minmeanmax.cc:51:27: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 51 | register int i=0, g=0, b=0; | ^ gs.cc: In member function 'void Genetic_Algorithm::selection_tournament(Population&, Individual*, int, FILE*)': gs.cc:1262:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 1262 | register unsigned int i = 0, start_index = 0; | ^ minmeanmax.cc:56:76: warning: variable 'best' set but not used [-Wunused-but-set-variable] 56 | double minimum[ 7+MAX_TORS ], sum[ 7+MAX_TORS ], maximum[ 7+MAX_TORS ], best[ 7+MAX_TORS ]; | ^~~~ gs.cc:1262:33: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 1262 | register unsigned int i = 0, start_index = 0; | ^~~~~~~~~~~ gs.cc: In member function 'void Genetic_Algorithm::selection_linear_ranking(Population&, Individual*, int, FILE*)': gs.cc:1327:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 1327 | register unsigned int i = 0, start_index = 0; | ^ gs.cc:1327:33: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 1327 | register unsigned int i = 0, start_index = 0; | ^~~~~~~~~~~ mkTorTree.cc: In function 'void mkTorTree(const int*, const int (*)[2048], const char (*)[256], int, int (*)[2048], int*, int*, const char*, const char (*)[5], Boole*, int*, int*, Real*, Real*, int*, int*, int, int, FILE*)': mkTorTree.cc:88:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 88 | register int i = 0; | ^ mkTorTree.cc:89:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 89 | register int j = 0; | ^ mkTorTree.cc:90:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 90 | register int k = 0; | ^ gs.cc: In member function 'virtual int Genetic_Algorithm::search(Population&, Eval*, int, FILE*)': gs.cc:1420:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 1420 | register unsigned int i; | ^ ls.cc: In function 'Phenotype genPh(const Phenotype&, const Real&, const Real*, Real*, int, FILE*)': ls.cc:46:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 46 | register unsigned int i, index = 0; | ^ ls.cc:46:29: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 46 | register unsigned int i, index = 0; | ^~~~~ ls.cc: In member function 'virtual Boole Solis_Wets::SW(Phenotype&, int, FILE*)': ls.cc:88:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 88 | register unsigned int i, j, num_successes = 0, num_failures = 0; | ^ ls.cc:88:29: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 88 | register unsigned int i, j, num_successes = 0, num_failures = 0; | ^ ls.cc:88:32: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 88 | register unsigned int i, j, num_successes = 0, num_failures = 0; | ^~~~~~~~~~~~~ ls.cc:88:51: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 88 | register unsigned int i, j, num_successes = 0, num_failures = 0; | ^~~~~~~~~~~~ ls.cc:89:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 89 | register Real temp_rho = rho; | ^~~~~~~~ ls.cc:92:9: warning: unused variable 'thisQuat' [-Wunused-variable] 92 | Quat thisQuat, prevQuat, startQuat; | ^~~~~~~~ ls.cc:92:19: warning: unused variable 'prevQuat' [-Wunused-variable] 92 | Quat thisQuat, prevQuat, startQuat; | ^~~~~~~~ ls.cc:92:29: warning: unused variable 'startQuat' [-Wunused-variable] 92 | Quat thisQuat, prevQuat, startQuat; | ^~~~~~~~~ ls.cc: In member function 'virtual Boole Pseudo_Solis_Wets::SW(Phenotype&, int, FILE*)': ls.cc:248:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 248 | register unsigned int i, j, num_successes = 0, num_failures = 0, all_rho_stepsizes_too_small = 1; | ^ ls.cc:248:29: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 248 | register unsigned int i, j, num_successes = 0, num_failures = 0, all_rho_stepsizes_too_small = 1; | ^ ls.cc:248:32: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 248 | register unsigned int i, j, num_successes = 0, num_failures = 0, all_rho_stepsizes_too_small = 1; | ^~~~~~~~~~~~~ ls.cc:248:51: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 248 | register unsigned int i, j, num_successes = 0, num_failures = 0, all_rho_stepsizes_too_small = 1; | ^~~~~~~~~~~~ ls.cc:248:70: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 248 | register unsigned int i, j, num_successes = 0, num_failures = 0, all_rho_stepsizes_too_small = 1; | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from eval.h:38, from support.h:237, from mapping.cc:37: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ In file included from qtransform.h:35, from cnv_state_to_coords.h:32, from investigate.h:33, from investigate.cc:40: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ investigate.cc: In function 'void investigate(int, int*, GroupEnergy*, const Real*, const Real*, const Real*, Boole, Real (*)[3], const Real (*)[3], const EnergyTables*, int, MapType*, int, const NonbondParam*, int, const int (*)[2048], const int*, const Real (*)[3], Boole, const short unsigned int (*)[256], const Boole*, Boole, short unsigned int*, Real (*)[8][2], int*, Boole, Boole, const char*, int, int, const Real&, const Real&, const int*, Boole, const Real&, const Real&, const Real&, GridMapSetInfo*, Boole, Boole, Boole, int, int, int, FILE*)': investigate.cc:103:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 103 | register int Test = -1; | ^~~~ investigate.cc:106:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 106 | register int i = 0; | ^ investigate.cc:120:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 120 | register int NumOutside = 0; | ^~~~~~~~~~ investigate.cc:121:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 121 | register int LocalTest = 0; | ^~~~~~~~~ In file included from initautodock.h:31, from initautodock.cc:36: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ initautodock.cc: In function 'void initautodock(const char (*)[128], Real (*)[3], const Real (*)[3], int, int, State*, const int (*)[2048], const Real (*)[3], int, int, const GridMapSetInfo*)': initautodock.cc:76:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 76 | register int xyz = 0; | ^~~ initautodock.cc:77:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 77 | register int i = 0; | ^ mkRandomState.cc: In function 'State mkRandomState(int, Real (*)[8][2], int*, GridMapSetInfo*)': mkRandomState.cc:44:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 44 | register int i; | ^ input_state.cc: In function 'int input_state(State*, FILE*, const char*, int, int*, Real*, Real*, char*)': input_state.cc:70:25: warning: ignoring return value of 'char* fgets(char*, int, FILE*)' declared with attribute 'warn_unused_result' [-Wunused-result] 70 | (void) fgets(myline, LINELEN, fp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~ mkTorTree.cc: At global scope: mkTorTree.cc:456:5: warning: 'int check_atomnumber(int, const int*, int, int, FILE*)' defined but not used [-Wunused-function] 456 | int check_atomnumber( const int number, const int *atomnumber, const int nrecord, | ^~~~~~~~~~~~~~~~ In file included from mkNewState.h:31, from mkNewState.cc:33: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ mkNewState.cc: In function 'void mkNewState(State*, const State*, State*, const Real (*)[3], const int (*)[2048], int, Real (*)[3], const Real (*)[3], int, const Real&, const Real&, const Real&, const Real (*)[8][2], const int*, int, int, FILE*)': mkNewState.cc:56:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 56 | register int i; | ^ In file included from nonbonds.cc:35: mdist.h: In function 'void mdist()': mdist.h:45:22: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 45 | register int i,j; | ^ mdist.h:45:24: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 45 | register int i,j; | ^ mdist.h:32:25: warning: operation on 'mindist[0][0]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:89:5: note: in expansion of macro 'set_minmax' 89 | set_minmax(C, C, 1.20, 1.545); // mindist[C][C] = 1.20, p. 3510 ; maxdist[C][C] = 1.545, p. 3511 | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[0][0]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:89:5: note: in expansion of macro 'set_minmax' 89 | set_minmax(C, C, 1.20, 1.545); // mindist[C][C] = 1.20, p. 3510 ; maxdist[C][C] = 1.545, p. 3511 | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[1][1]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:96:5: note: in expansion of macro 'set_minmax' 96 | set_minmax(N, N, 1.0974, 1.128); // mindist[N][N] = 1.0974, p. 3513 ; maxdist[N][N] = 1.128, p. 3515 | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[1][1]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:96:5: note: in expansion of macro 'set_minmax' 96 | set_minmax(N, N, 1.0974, 1.128); // mindist[N][N] = 1.0974, p. 3513 ; maxdist[N][N] = 1.128, p. 3515 | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[2][2]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:102:5: note: in expansion of macro 'set_minmax' 102 | set_minmax(O, O, 1.208, 1.51); // p.3513, p.3515 | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[2][2]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:102:5: note: in expansion of macro 'set_minmax' 102 | set_minmax(O, O, 1.208, 1.51); // p.3513, p.3515 | ^~~~~~~~~~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-parse_PDBQT_line.o `test -f 'parse_PDBQT_line.cc' || echo './'`parse_PDBQT_line.cc mdist.h:32:25: warning: operation on 'mindist[3][3]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:107:5: note: in expansion of macro 'set_minmax' 107 | set_minmax(H, H, 100.,-100.); // impossible values to prevent such bonds from forming. | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[3][3]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:107:5: note: in expansion of macro 'set_minmax' 107 | set_minmax(H, H, 100.,-100.); // impossible values to prevent such bonds from forming. | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[4][4]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:111:5: note: in expansion of macro 'set_minmax' 111 | set_minmax(XX, XX, 0.9, 2.1); // AutoDock 3 defaults | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[4][4]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:111:5: note: in expansion of macro 'set_minmax' 111 | set_minmax(XX, XX, 0.9, 2.1); // AutoDock 3 defaults | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[5][5]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:114:5: note: in expansion of macro 'set_minmax' 114 | set_minmax(P, P, 2.18, 2.23); // mindist[P][P] = 2.18, p. 3513 ; maxdist[P][P] = 2.23, p. 3513 | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[5][5]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:114:5: note: in expansion of macro 'set_minmax' 114 | set_minmax(P, P, 2.18, 2.23); // mindist[P][P] = 2.18, p. 3513 ; maxdist[P][P] = 2.23, p. 3513 | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[6][6]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:116:5: note: in expansion of macro 'set_minmax' 116 | set_minmax(S, S, 2.03, 2.05); // mindist[S][S] = 2.03, p. 3515 ; maxdist[S][S] = 2.05, p. 3515 | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[6][6]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:116:5: note: in expansion of macro 'set_minmax' 116 | set_minmax(S, S, 2.03, 2.05); // mindist[S][S] = 2.03, p. 3515 ; maxdist[S][S] = 2.05, p. 3515 | ^~~~~~~~~~ nonbonds.cc: In function 'void printbonds(int, const int*, const int (*)[16], const char*, int, int, FILE*)': nonbonds.cc:250:13: warning: '?:' using integer constants in boolean context [-Wint-in-bool-context] 248 | for (int j=0; j< | ~~ 249 | B_print_all_bonds | ~~~~~~~~~~~~~~~~~ 250 | ? MAX_NBONDS // loop over all the slots for this atom's "j" bonds | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 251 | : nbonds[i]; // loop over this atom's "j" bonds | ~~~~~~~~~~~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-parse_trj_line.o `test -f 'parse_trj_line.cc' || echo './'`parse_trj_line.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-parsetypes.o `test -f 'parsetypes.cc' || echo './'`parsetypes.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-print_2x.o `test -f 'print_2x.cc' || echo './'`print_2x.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-print_atomic_energies.o `test -f 'print_atomic_energies.cc' || echo './'`print_atomic_energies.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-print_avsfld.o `test -f 'print_avsfld.cc' || echo './'`print_avsfld.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-writePDBQT.o `test -f 'writePDBQT.cc' || echo './'`writePDBQT.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-print_rem.o `test -f 'print_rem.cc' || echo './'`print_rem.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-printdate.o `test -f 'printdate.cc' || echo './'`printdate.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-printEnergies.o `test -f 'printEnergies.cc' || echo './'`printEnergies.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-printhms.o `test -f 'printhms.cc' || echo './'`printhms.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-prClusterHist.o `test -f 'prClusterHist.cc' || echo './'`prClusterHist.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-prInitialState.o `test -f 'prInitialState.cc' || echo './'`prInitialState.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-prTorConList.o `test -f 'prTorConList.cc' || echo './'`prTorConList.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-pso.o `test -f 'pso.cc' || echo './'`pso.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-qmultiply.o `test -f 'qmultiply.cc' || echo './'`qmultiply.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-qtransform.o `test -f 'qtransform.cc' || echo './'`qtransform.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-quicksort.o `test -f 'quicksort.cc' || echo './'`quicksort.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-ranlib.o `test -f 'ranlib.cc' || echo './'`ranlib.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-rep.o `test -f 'rep.cc' || echo './'`rep.cc prTorConList.cc: In function 'void prTorConList(int, const Boole*, const short unsigned int (*)[256], Real (*)[8][2], int*, int, FILE*)': prTorConList.cc:64:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 64 | register int i = 0; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-scauchy.o `test -f 'scauchy.cc' || echo './'`scauchy.cc In file included from qtransform.h:35, from cnv_state_to_coords.h:32, from writePDBQT.h:34, from writePDBQT.cc:35: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-setflags.o `test -f 'setflags.cc' || echo './'`setflags.cc prClusterHist.cc: In function 'void prClusterHist(int, int, const Real&, const int*, const int (*)[2000], const Real*, const Real (*)[2000], const Real*, int, FILE*)': prClusterHist.cc:51:19: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 51 | register int Rank=0, | ^~~~ prClusterHist.cc:52:19: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 52 | j=0; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-simanneal.o `test -f 'simanneal.cc' || echo './'`simanneal.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-sort_enrg.o `test -f 'sort_enrg.cc' || echo './'`sort_enrg.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-stack.o `test -f 'stack.cc' || echo './'`stack.cc In file included from qtransform.h:35, from cnv_state_to_coords.h:32, from writePDBQT.h:34, from prInitialState.cc:36: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-stop.o `test -f 'stop.cc' || echo './'`stop.cc prInitialState.cc: In function 'void prInitialState(const EnergyBreakdown*, int, int, const Real (*)[3], const char (*)[128], const int*, EnergyComponent*, const Real*, int, Boole, Unbound_Model, int, FILE*)': prInitialState.cc:59:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 59 | register int i = 0; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-strindex.o `test -f 'strindex.cc' || echo './'`strindex.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-success.o `test -f 'success.cc' || echo './'`success.cc In file included from qmultiply.cc:35: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.cc:42:44: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 42 | register const Quat *const ql, //left | ^~ qmultiply.cc:43:44: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 43 | register const Quat *const qr ) //right | ^~ qmultiply.cc: In function 'void qmultiply(Quat*, const Quat*, const Quat*)': qmultiply.cc:66:21: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 66 | register double x,y,z,w; | ^ qmultiply.cc:66:23: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 66 | register double x,y,z,w; | ^ qmultiply.cc:66:25: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 66 | register double x,y,z,w; | ^ qmultiply.cc:66:27: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 66 | register double x,y,z,w; | ^ qmultiply.cc: In function 'AxisAngle QuatToAxisAngle(const Quat&)': qmultiply.cc:224:25: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 224 | register double angle = 2. * acos( input.w ); | ^~~~~ In file included from eval.h:38, from support.h:237, from gs.h:36, from pso.h:4, from pso.cc:1: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ strindex.cc: In function 'int strindex(const char*, const char*)': strindex.cc:54:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | register int i,c1,c2; | ^ strindex.cc:54:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | register int i,c1,c2; | ^~ strindex.cc:54:23: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | register int i,c1,c2; | ^~ qmultiply.cc: In function 'Quat inverse(const Quat&)': qmultiply.cc:356:19: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 356 | register Quat conj, inv; | ^~~~ qmultiply.cc:356:25: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 356 | register Quat conj, inv; | ^~~ qmultiply.cc:357:21: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 357 | register double inv_squared_magnitude; | ^~~~~~~~~~~~~~~~~~~~~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-support.o `test -f 'support.cc' || echo './'`support.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-swap.o `test -f 'swap.cc' || echo './'`swap.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-threadlog.o `test -f 'threadlog.cc' || echo './'`threadlog.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-timesys.o `test -f 'timesys.cc' || echo './'`timesys.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-timesyshms.o `test -f 'timesyshms.cc' || echo './'`timesyshms.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-torNorVec.o `test -f 'torNorVec.cc' || echo './'`torNorVec.cc In file included from qtransform.h:35, from qtransform.cc:32: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4-torsion.o `test -f 'torsion.cc' || echo './'`torsion.cc qtransform.cc: In function 'void qtransform(const Coord&, const Quat&, Real (*)[3], int)': qtransform.cc:65:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 65 | register int a; | ^ rep.cc: In constructor 'IntVector::IntVector(int)': rep.cc:77:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 77 | register int i; | ^ rep.cc: In constructor 'IntVector::IntVector(int, int, int)': rep.cc:95:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 95 | register int i; | ^ rep.cc: In copy constructor 'IntVector::IntVector(const IntVector&)': rep.cc:129:31: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 129 | for (register unsigned int i=0; i ONE_MINUS_EPSILON) && (aQOK_mag4 < ONE_PLUS_EPSILON)); } | ^~~~~~~~~ gs.cc:641:10: note: in expansion of macro 'assertQuatOK' 641 | assertQuatOK( q_father ); | ^~~~~~~~~~~~ autocomm.h:166:60: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 166 | #define assertQuatOK( q ) {fflush(logFile);register double aQOK_mag4 = hypotenuse4( (q).x, (q).y, (q).z, (q).w ); assert((aQOK_mag4 > ONE_MINUS_EPSILON) && (aQOK_mag4 < ONE_PLUS_EPSILON)); } | ^~~~~~~~~ gs.cc:652:10: note: in expansion of macro 'assertQuatOK' 652 | assertQuatOK( q_mother ); | ^~~~~~~~~~~~ gs.cc: In member function 'void Genetic_Algorithm::crossover_arithmetic(Genotype&, Genotype&, const Real&, int, FILE*)': gs.cc:877:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 877 | register unsigned int i; | ^ gs.cc: In member function 'void Genetic_Algorithm::selection_proportional(Population&, Individual*, int, FILE*)': gs.cc:983:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 983 | register unsigned int i=0, start_index = 0; | ^ gs.cc:983:31: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 983 | register unsigned int i=0, start_index = 0; | ^~~~~~~~~~~ gs.cc: In member function 'void Genetic_Algorithm::selection_tournament(Population&, Individual*, int, FILE*)': gs.cc:1262:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 1262 | register unsigned int i = 0, start_index = 0; | ^ gs.cc:1262:33: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 1262 | register unsigned int i = 0, start_index = 0; | ^~~~~~~~~~~ gs.cc: In member function 'void Genetic_Algorithm::selection_linear_ranking(Population&, Individual*, int, FILE*)': gs.cc:1327:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 1327 | register unsigned int i = 0, start_index = 0; | ^ gs.cc:1327:33: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 1327 | register unsigned int i = 0, start_index = 0; | ^~~~~~~~~~~ gs.cc: In member function 'virtual int Genetic_Algorithm::search(Population&, Eval*, int, FILE*)': gs.cc:1420:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 1420 | register unsigned int i; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-mkRandomState.o `test -f 'mkRandomState.cc' || echo './'`mkRandomState.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-nonbonds.o `test -f 'nonbonds.cc' || echo './'`nonbonds.cc In file included from getInitialState.h:31, from getInitialState.cc:38: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ getInitialState.cc: In function 'void getInitialState(Real*, const Real&, State*, State*, State*, Boole, Boole, Boole, const Real*, const Real*, const Real*, Real (*)[3], const Real (*)[3], const char (*)[128], EnergyComponent*, const EnergyTables*, Boole, MapType*, int, int, int*, GroupEnergy*, int, const NonbondParam*, int, const int (*)[2048], const int*, const Real (*)[3], int, int, const Real&, int, const int*, Boole, const Real&, const Real&, const Real&, const GridMapSetInfo*, Boole, Boole, Unbound_Model, int, FILE*)': getInitialState.cc:111:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 111 | register int i = 0; | ^ In file included from initautodock.h:31, from initautodock.cc:36: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ initautodock.cc: In function 'void initautodock(const char (*)[128], Real (*)[3], const Real (*)[3], int, int, State*, const int (*)[2048], const Real (*)[3], int, int, const GridMapSetInfo*)': initautodock.cc:76:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 76 | register int xyz = 0; | ^~~ initautodock.cc:77:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 77 | register int i = 0; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-openfile.o `test -f 'openfile.cc' || echo './'`openfile.cc In file included from eval.h:38, from support.h:237, from ls.h:40, from ls.cc:40: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ In file included from qtransform.h:35, from cnv_state_to_coords.h:32, from investigate.h:33, from investigate.cc:40: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ ls.cc: In function 'Phenotype genPh(const Phenotype&, const Real&, const Real*, Real*, int, FILE*)': ls.cc:46:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 46 | register unsigned int i, index = 0; | ^ ls.cc:46:29: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 46 | register unsigned int i, index = 0; | ^~~~~ ls.cc: In member function 'virtual Boole Solis_Wets::SW(Phenotype&, int, FILE*)': ls.cc:88:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 88 | register unsigned int i, j, num_successes = 0, num_failures = 0; | ^ ls.cc:88:29: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 88 | register unsigned int i, j, num_successes = 0, num_failures = 0; | ^ ls.cc:88:32: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 88 | register unsigned int i, j, num_successes = 0, num_failures = 0; | ^~~~~~~~~~~~~ ls.cc:88:51: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 88 | register unsigned int i, j, num_successes = 0, num_failures = 0; | ^~~~~~~~~~~~ ls.cc:89:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 89 | register Real temp_rho = rho; | ^~~~~~~~ investigate.cc: In function 'void investigate(int, int*, GroupEnergy*, const Real*, const Real*, const Real*, Boole, Real (*)[3], const Real (*)[3], const EnergyTables*, int, MapType*, int, const NonbondParam*, int, const int (*)[2048], const int*, const Real (*)[3], Boole, const short unsigned int (*)[256], const Boole*, Boole, short unsigned int*, Real (*)[8][2], int*, Boole, Boole, const char*, int, int, const Real&, const Real&, const int*, Boole, const Real&, const Real&, const Real&, GridMapSetInfo*, Boole, Boole, Boole, int, int, int, FILE*)': investigate.cc:103:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 103 | register int Test = -1; | ^~~~ investigate.cc:106:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 106 | register int i = 0; | ^ investigate.cc:120:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 120 | register int NumOutside = 0; | ^~~~~~~~~~ investigate.cc:121:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 121 | register int LocalTest = 0; | ^~~~~~~~~ ls.cc:92:9: warning: unused variable 'thisQuat' [-Wunused-variable] 92 | Quat thisQuat, prevQuat, startQuat; | ^~~~~~~~ ls.cc:92:19: warning: unused variable 'prevQuat' [-Wunused-variable] 92 | Quat thisQuat, prevQuat, startQuat; | ^~~~~~~~ ls.cc:92:29: warning: unused variable 'startQuat' [-Wunused-variable] 92 | Quat thisQuat, prevQuat, startQuat; | ^~~~~~~~~ ls.cc: In member function 'virtual Boole Pseudo_Solis_Wets::SW(Phenotype&, int, FILE*)': ls.cc:248:26: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 248 | register unsigned int i, j, num_successes = 0, num_failures = 0, all_rho_stepsizes_too_small = 1; | ^ ls.cc:248:29: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 248 | register unsigned int i, j, num_successes = 0, num_failures = 0, all_rho_stepsizes_too_small = 1; | ^ ls.cc:248:32: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 248 | register unsigned int i, j, num_successes = 0, num_failures = 0, all_rho_stepsizes_too_small = 1; | ^~~~~~~~~~~~~ ls.cc:248:51: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 248 | register unsigned int i, j, num_successes = 0, num_failures = 0, all_rho_stepsizes_too_small = 1; | ^~~~~~~~~~~~ ls.cc:248:70: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 248 | register unsigned int i, j, num_successes = 0, num_failures = 0, all_rho_stepsizes_too_small = 1; | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from input_state.h:30, from input_state.cc:34: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-output_state.o `test -f 'output_state.cc' || echo './'`output_state.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-parse_dpf_line.o `test -f 'parse_dpf_line.cc' || echo './'`parse_dpf_line.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-parse_param_line.o `test -f 'parse_param_line.cc' || echo './'`parse_param_line.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-parse_PDBQT_line.o `test -f 'parse_PDBQT_line.cc' || echo './'`parse_PDBQT_line.cc input_state.cc: In function 'int input_state(State*, FILE*, const char*, int, int*, Real*, Real*, char*)': input_state.cc:70:25: warning: ignoring return value of 'char* fgets(char*, int, FILE*)' declared with attribute 'warn_unused_result' [-Wunused-result] 70 | (void) fgets(myline, LINELEN, fp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-parse_trj_line.o `test -f 'parse_trj_line.cc' || echo './'`parse_trj_line.cc mkTorTree.cc: In function 'void mkTorTree(const int*, const int (*)[2048], const char (*)[256], int, int (*)[2048], int*, int*, const char*, const char (*)[5], Boole*, int*, int*, Real*, Real*, int*, int*, int, int, FILE*)': mkTorTree.cc:88:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 88 | register int i = 0; | ^ In file included from eval.h:38, from support.h:237, from mapping.cc:37: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ mkTorTree.cc:89:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 89 | register int j = 0; | ^ mkTorTree.cc:90:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 90 | register int k = 0; | ^ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-parsetypes.o `test -f 'parsetypes.cc' || echo './'`parsetypes.cc mkRandomState.cc: In function 'State mkRandomState(int, Real (*)[8][2], int*, GridMapSetInfo*)': mkRandomState.cc:44:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 44 | register int i; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-print_2x.o `test -f 'print_2x.cc' || echo './'`print_2x.cc In file included from mkNewState.h:31, from mkNewState.cc:33: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ mkNewState.cc: In function 'void mkNewState(State*, const State*, State*, const Real (*)[3], const int (*)[2048], int, Real (*)[3], const Real (*)[3], int, const Real&, const Real&, const Real&, const Real (*)[8][2], const int*, int, int, FILE*)': mkNewState.cc:56:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 56 | register int i; | ^ mkTorTree.cc: At global scope: mkTorTree.cc:456:5: warning: 'int check_atomnumber(int, const int*, int, int, FILE*)' defined but not used [-Wunused-function] 456 | int check_atomnumber( const int number, const int *atomnumber, const int nrecord, | ^~~~~~~~~~~~~~~~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-print_atomic_energies.o `test -f 'print_atomic_energies.cc' || echo './'`print_atomic_energies.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-print_avsfld.o `test -f 'print_avsfld.cc' || echo './'`print_avsfld.cc In file included from eval.h:38, from support.h:237, from minmeanmax.cc:39: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-writePDBQT.o `test -f 'writePDBQT.cc' || echo './'`writePDBQT.cc minmeanmax.cc: In function 'void minmeanmax(FILE*, const Population&, int, const GridMapSetInfo*)': minmeanmax.cc:51:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 51 | register int i=0, g=0, b=0; | ^ minmeanmax.cc:51:22: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 51 | register int i=0, g=0, b=0; | ^ minmeanmax.cc:51:27: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 51 | register int i=0, g=0, b=0; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-print_rem.o `test -f 'print_rem.cc' || echo './'`print_rem.cc minmeanmax.cc:56:76: warning: variable 'best' set but not used [-Wunused-but-set-variable] 56 | double minimum[ 7+MAX_TORS ], sum[ 7+MAX_TORS ], maximum[ 7+MAX_TORS ], best[ 7+MAX_TORS ]; | ^~~~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-printdate.o `test -f 'printdate.cc' || echo './'`printdate.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-printEnergies.o `test -f 'printEnergies.cc' || echo './'`printEnergies.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-printhms.o `test -f 'printhms.cc' || echo './'`printhms.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-prClusterHist.o `test -f 'prClusterHist.cc' || echo './'`prClusterHist.cc In file included from nonbonds.cc:35: mdist.h: In function 'void mdist()': mdist.h:45:22: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 45 | register int i,j; | ^ mdist.h:45:24: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 45 | register int i,j; | ^ mdist.h:32:25: warning: operation on 'mindist[0][0]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:89:5: note: in expansion of macro 'set_minmax' 89 | set_minmax(C, C, 1.20, 1.545); // mindist[C][C] = 1.20, p. 3510 ; maxdist[C][C] = 1.545, p. 3511 | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[0][0]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:89:5: note: in expansion of macro 'set_minmax' 89 | set_minmax(C, C, 1.20, 1.545); // mindist[C][C] = 1.20, p. 3510 ; maxdist[C][C] = 1.545, p. 3511 | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[1][1]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:96:5: note: in expansion of macro 'set_minmax' 96 | set_minmax(N, N, 1.0974, 1.128); // mindist[N][N] = 1.0974, p. 3513 ; maxdist[N][N] = 1.128, p. 3515 | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[1][1]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:96:5: note: in expansion of macro 'set_minmax' 96 | set_minmax(N, N, 1.0974, 1.128); // mindist[N][N] = 1.0974, p. 3513 ; maxdist[N][N] = 1.128, p. 3515 | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[2][2]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:102:5: note: in expansion of macro 'set_minmax' 102 | set_minmax(O, O, 1.208, 1.51); // p.3513, p.3515 | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[2][2]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:102:5: note: in expansion of macro 'set_minmax' 102 | set_minmax(O, O, 1.208, 1.51); // p.3513, p.3515 | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[3][3]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:107:5: note: in expansion of macro 'set_minmax' 107 | set_minmax(H, H, 100.,-100.); // impossible values to prevent such bonds from forming. | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[3][3]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:107:5: note: in expansion of macro 'set_minmax' 107 | set_minmax(H, H, 100.,-100.); // impossible values to prevent such bonds from forming. | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[4][4]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:111:5: note: in expansion of macro 'set_minmax' 111 | set_minmax(XX, XX, 0.9, 2.1); // AutoDock 3 defaults | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[4][4]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:111:5: note: in expansion of macro 'set_minmax' 111 | set_minmax(XX, XX, 0.9, 2.1); // AutoDock 3 defaults | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[5][5]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:114:5: note: in expansion of macro 'set_minmax' 114 | set_minmax(P, P, 2.18, 2.23); // mindist[P][P] = 2.18, p. 3513 ; maxdist[P][P] = 2.23, p. 3513 | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[5][5]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:114:5: note: in expansion of macro 'set_minmax' 114 | set_minmax(P, P, 2.18, 2.23); // mindist[P][P] = 2.18, p. 3513 ; maxdist[P][P] = 2.23, p. 3513 | ^~~~~~~~~~ mdist.h:32:25: warning: operation on 'mindist[6][6]' may be undefined [-Wsequence-point] 32 | mindist[(a1)][(a2)] = (mindist[(a2)][(a1)] = (min)-BOND_LENGTH_TOLERANCE);\ | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:116:5: note: in expansion of macro 'set_minmax' 116 | set_minmax(S, S, 2.03, 2.05); // mindist[S][S] = 2.03, p. 3515 ; maxdist[S][S] = 2.05, p. 3515 | ^~~~~~~~~~ mdist.h:33:25: warning: operation on 'maxdist[6][6]' may be undefined [-Wsequence-point] 33 | maxdist[(a1)][(a2)] = (maxdist[(a2)][(a1)] = (max)+BOND_LENGTH_TOLERANCE) | ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mdist.h:116:5: note: in expansion of macro 'set_minmax' 116 | set_minmax(S, S, 2.03, 2.05); // mindist[S][S] = 2.03, p. 3515 ; maxdist[S][S] = 2.05, p. 3515 | ^~~~~~~~~~ nonbonds.cc: In function 'void printbonds(int, const int*, const int (*)[16], const char*, int, int, FILE*)': nonbonds.cc:250:13: warning: '?:' using integer constants in boolean context [-Wint-in-bool-context] 248 | for (int j=0; j< | ~~ 249 | B_print_all_bonds | ~~~~~~~~~~~~~~~~~ 250 | ? MAX_NBONDS // loop over all the slots for this atom's "j" bonds | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 251 | : nbonds[i]; // loop over this atom's "j" bonds | ~~~~~~~~~~~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-prInitialState.o `test -f 'prInitialState.cc' || echo './'`prInitialState.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-prTorConList.o `test -f 'prTorConList.cc' || echo './'`prTorConList.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-pso.o `test -f 'pso.cc' || echo './'`pso.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-qmultiply.o `test -f 'qmultiply.cc' || echo './'`qmultiply.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-qtransform.o `test -f 'qtransform.cc' || echo './'`qtransform.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-quicksort.o `test -f 'quicksort.cc' || echo './'`quicksort.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-ranlib.o `test -f 'ranlib.cc' || echo './'`ranlib.cc In file included from qtransform.h:35, from cnv_state_to_coords.h:32, from writePDBQT.h:34, from writePDBQT.cc:35: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-rep.o `test -f 'rep.cc' || echo './'`rep.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-scauchy.o `test -f 'scauchy.cc' || echo './'`scauchy.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-setflags.o `test -f 'setflags.cc' || echo './'`setflags.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-simanneal.o `test -f 'simanneal.cc' || echo './'`simanneal.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-sort_enrg.o `test -f 'sort_enrg.cc' || echo './'`sort_enrg.cc prClusterHist.cc: In function 'void prClusterHist(int, int, const Real&, const int*, const int (*)[2000], const Real*, const Real (*)[2000], const Real*, int, FILE*)': prClusterHist.cc:51:19: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 51 | register int Rank=0, | ^~~~ prClusterHist.cc:52:19: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 52 | j=0; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-stack.o `test -f 'stack.cc' || echo './'`stack.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-stop.o `test -f 'stop.cc' || echo './'`stop.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-strindex.o `test -f 'strindex.cc' || echo './'`strindex.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-success.o `test -f 'success.cc' || echo './'`success.cc prTorConList.cc: In function 'void prTorConList(int, const Boole*, const short unsigned int (*)[256], Real (*)[8][2], int*, int, FILE*)': prTorConList.cc:64:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 64 | register int i = 0; | ^ strindex.cc: In function 'int strindex(const char*, const char*)': strindex.cc:54:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | register int i,c1,c2; | ^ strindex.cc:54:20: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | register int i,c1,c2; | ^~ strindex.cc:54:23: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | register int i,c1,c2; | ^~ In file included from eval.h:38, from support.h:237, from gs.h:36, from pso.h:4, from pso.cc:1: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ eval.h: In member function 'void Eval::setup(Real (*)[3], Real*, Real*, Real*, int*, int, GridMapSetInfo*, MapType*, EnergyComponent*, NonbondParam*, EnergyTables*, int, int*, GroupEnergy*, Boole, Boole, Boole*, Boole, short unsigned int*, short unsigned int (*)[256], Real (*)[3], int (*)[2048], Real (*)[3], const State&, const Molecule&, int*, Boole, const Real&, const Real&, const Real&, Boole, Boole, int, int, FILE*)': eval.h:195:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 195 | register int i; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-support.o `test -f 'support.cc' || echo './'`support.cc In file included from qtransform.h:35, from cnv_state_to_coords.h:32, from writePDBQT.h:34, from prInitialState.cc:36: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ prInitialState.cc: In function 'void prInitialState(const EnergyBreakdown*, int, int, const Real (*)[3], const char (*)[128], const int*, EnergyComponent*, const Real*, int, Boole, Unbound_Model, int, FILE*)': prInitialState.cc:59:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 59 | register int i = 0; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-swap.o `test -f 'swap.cc' || echo './'`swap.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-threadlog.o `test -f 'threadlog.cc' || echo './'`threadlog.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-timesys.o `test -f 'timesys.cc' || echo './'`timesys.cc g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-timesyshms.o `test -f 'timesyshms.cc' || echo './'`timesyshms.cc In file included from qtransform.h:35, from qtransform.cc:32: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qtransform.cc: In function 'void qtransform(const Coord&, const Quat&, Real (*)[3], int)': qtransform.cc:65:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 65 | register int a; | ^ g++ -DPACKAGE_NAME=\"autodock\" -DPACKAGE_TARNAME=\"autodock\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autodock\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autodock\" -DVERSION=\"4.2.6\" -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_STRNCASECMP=1 -I. -DNOSQRT -DUSE_DOUBLE -DUSE_8A_NBCUTOFF -DUSE_INT_AS_FOURBYTELONG -O3 -fopenmp -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -Wall -Wno-write-strings -fopenmp -fopenmp -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autodock4_omp-torNorVec.o `test -f 'torNorVec.cc' || echo './'`torNorVec.cc scauchy.cc: In function 'Real scauchy2()': scauchy.cc:81:15: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 81 | register Real x, y, r1, r2; | ^ scauchy.cc:81:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 81 | register Real x, y, r1, r2; | ^ scauchy.cc:81:21: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 81 | register Real x, y, r1, r2; | ^~ scauchy.cc:81:25: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 81 | register Real x, y, r1, r2; | ^~ rep.cc: In constructor 'IntVector::IntVector(int)': rep.cc:77:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 77 | register int i; | ^ In file included from qmultiply.cc:35: qmultiply.h:53:59: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:53:90: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 53 | void qmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.h:54:94: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 54 | void qconjmultiply( Quat *const q, register const Quat *const ql, register const Quat *const qr ); | ^~ qmultiply.cc:42:44: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 42 | register const Quat *const ql, //left | ^~ qmultiply.cc:43:44: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 43 | register const Quat *const qr ) //right | ^~ qmultiply.cc: In function 'void qmultiply(Quat*, const Quat*, const Quat*)': qmultiply.cc:66:21: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 66 | register double x,y,z,w; | ^ qmultiply.cc:66:23: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 66 | register double x,y,z,w; | ^ qmultiply.cc:66:25: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 66 | register double x,y,z,w; | ^ qmultiply.cc:66:27: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 66 | register double x,y,z,w; | ^ rep.cc: In constructor 'IntVector::IntVector(int, int, int)': rep.cc:95:17: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 95 | register int i; | ^ rep.cc: In copy constructor 'IntVector::IntVector(const IntVector&)': rep.cc:129:31: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 129 | for (register unsigned int i=0; i default_parameters.h sh ./copyfilesfromAD make all-am make[3]: Entering directory '/build/autodocksuite-4.2.6/autogrid' g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-main.o `test -f 'main.cpp' || echo './'`main.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-check_size.o `test -f 'check_size.cpp' || echo './'`check_size.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-setflags.o `test -f 'setflags.cpp' || echo './'`setflags.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-timesys.o `test -f 'timesys.cpp' || echo './'`timesys.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-timesyshms.o `test -f 'timesyshms.cpp' || echo './'`timesyshms.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-printhms.o `test -f 'printhms.cpp' || echo './'`printhms.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-prHMSfixed.o `test -f 'prHMSfixed.cpp' || echo './'`prHMSfixed.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-printdate.o `test -f 'printdate.cpp' || echo './'`printdate.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-strindex.o `test -f 'strindex.cpp' || echo './'`strindex.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-banner.o `test -f 'banner.cpp' || echo './'`banner.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-gpfparser.o `test -f 'gpfparser.cpp' || echo './'`gpfparser.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-parsetypes.o `test -f 'parsetypes.cpp' || echo './'`parsetypes.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-atom_parameter_manager.o `test -f 'atom_parameter_manager.cpp' || echo './'`atom_parameter_manager.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-read_parameter_library.o `test -f 'read_parameter_library.cpp' || echo './'`read_parameter_library.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-parse_param_line.o `test -f 'parse_param_line.cpp' || echo './'`parse_param_line.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-distdepdiel.o `test -f 'distdepdiel.cpp' || echo './'`distdepdiel.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-mingw_getrusage.o `test -f 'mingw_getrusage.cpp' || echo './'`mingw_getrusage.cpp g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-calc_vina_potential.o `test -f 'calc_vina_potential.cpp' || echo './'`calc_vina_potential.cpp calc_vina_potential.cpp: In function 'int calc_vina_potential(int, const char (*)[3], int, const char (*)[3], EnergyTables*)': calc_vina_potential.cpp:110:9: warning: variable 'hydrogen' set but not used [-Wunused-but-set-variable] 110 | int hydrogen=-1; | ^~~~~~~~ calc_vina_potential.cpp:113:9: warning: variable 'oxygen' set but not used [-Wunused-but-set-variable] 113 | int oxygen=-1; | ^~~~~~ calc_vina_potential.cpp:114:9: warning: variable 'nitrogen' set but not used [-Wunused-but-set-variable] 114 | int nitrogen=-1; | ^~~~~~~~ calc_vina_potential.cpp:115:9: warning: variable 'fluorine' set but not used [-Wunused-but-set-variable] 115 | int fluorine=-1; | ^~~~~~~~ calc_vina_potential.cpp:116:9: warning: variable 'chlorine' set but not used [-Wunused-but-set-variable] 116 | int chlorine=-1; | ^~~~~~~~ calc_vina_potential.cpp:117:9: warning: variable 'bromine' set but not used [-Wunused-but-set-variable] 117 | int bromine=-1; | ^~~~~~~ calc_vina_potential.cpp:118:9: warning: variable 'iodine' set but not used [-Wunused-but-set-variable] 118 | int iodine=-1; | ^~~~~~ main.cpp: In function 'int main(int, char**)': main.cpp:427:14: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 427 | register int i = 0, ii = 0, j = 0, k = 0, indx_r = 0, i_smooth; | ^ main.cpp:427:21: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 427 | register int i = 0, ii = 0, j = 0, k = 0, indx_r = 0, i_smooth; | ^~ main.cpp:427:29: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 427 | register int i = 0, ii = 0, j = 0, k = 0, indx_r = 0, i_smooth; | ^ main.cpp:427:36: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 427 | register int i = 0, ii = 0, j = 0, k = 0, indx_r = 0, i_smooth; | ^ main.cpp:427:43: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 427 | register int i = 0, ii = 0, j = 0, k = 0, indx_r = 0, i_smooth; | ^~~~~~ main.cpp:427:55: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 427 | register int i = 0, ii = 0, j = 0, k = 0, indx_r = 0, i_smooth; | ^~~~~~~~ main.cpp:428:14: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 428 | register int ia = 0, ib = 0, ic = 0, map_index = -1, iat = 0, i1 = 0, i2 = 0, i3 = 0; | ^~ main.cpp:428:22: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 428 | register int ia = 0, ib = 0, ic = 0, map_index = -1, iat = 0, i1 = 0, i2 = 0, i3 = 0; | ^~ main.cpp:428:30: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 428 | register int ia = 0, ib = 0, ic = 0, map_index = -1, iat = 0, i1 = 0, i2 = 0, i3 = 0; | ^~ main.cpp:428:38: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 428 | register int ia = 0, ib = 0, ic = 0, map_index = -1, iat = 0, i1 = 0, i2 = 0, i3 = 0; | ^~~~~~~~~ main.cpp:428:54: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 428 | register int ia = 0, ib = 0, ic = 0, map_index = -1, iat = 0, i1 = 0, i2 = 0, i3 = 0; | ^~~ main.cpp:428:63: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 428 | register int ia = 0, ib = 0, ic = 0, map_index = -1, iat = 0, i1 = 0, i2 = 0, i3 = 0; | ^~ main.cpp:428:71: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 428 | register int ia = 0, ib = 0, ic = 0, map_index = -1, iat = 0, i1 = 0, i2 = 0, i3 = 0; | ^~ main.cpp:428:79: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 428 | register int ia = 0, ib = 0, ic = 0, map_index = -1, iat = 0, i1 = 0, i2 = 0, i3 = 0; | ^~ main.cpp:429:14: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 429 | register int closestH = 0; | ^~~~~~~~ g++ -DPACKAGE_NAME=\"autogrid\" -DPACKAGE_TARNAME=\"autogrid\" -DPACKAGE_VERSION=\"4.2.6\" -DPACKAGE_STRING=\"autogrid\ 4.2.6\" -DPACKAGE_BUGREPORT=\"autodock@scripps.edu\" -DPACKAGE_URL=\"\" -DPACKAGE=\"autogrid\" -DVERSION=\"4.2.6\" -DHAVE_LIBM=1 -DHAVE_STDIO_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_STRINGS_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_UNISTD_H=1 -DSTDC_HEADERS=1 -DHAVE__BOOL=1 -DHAVE_STDBOOL_H=1 -DHAVE_MALLOC=1 -DHAVE_GETHOSTNAME=1 -DHAVE_GETPID=1 -DHAVE_FCHMOD=1 -DHAVE_SETLINEBUF=1 -DHAVE_SYSCONF=1 -DHAVE_TIMES=1 -DHAVE_GETRUSAGE=1 -DHAVE_POW=1 -DHAVE_SQRT=1 -DHAVE_STRNCASECMP=1 -I. -Wall -O3 -I . -I./../autodock -Wno-write-strings -DUSE_8A_NBCUTOFF -DUSE_DOUBLE -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -c -o autogrid4-stop.o `test -f 'stop.cpp' || echo './'`stop.cpp read_parameter_library.cpp: In function 'void setup_parameter_library(FILE*, int, const char*, Unbound_Model, Linear_FE_Model*)': read_parameter_library.cpp:207:18: warning: ISO C++17 does not allow 'register' storage class specifier [-Wregister] 207 | register int counter = 0; | ^~~~~~~ main.cpp:214:5: warning: variable 'parameter_library_found' set but not used [-Wunused-but-set-variable] 214 | int parameter_library_found = 0; | ^~~~~~~~~~~~~~~~~~~~~~~ main.cpp:263:8: warning: variable 'maptypeptr' set but not used [-Wunused-but-set-variable] 263 | char * maptypeptr; /*ptr for current map->type*/ | ^~~~~~~~~~ main.cpp:301:44: warning: variable 'nitrogen' set but not used [-Wunused-but-set-variable] 301 | int hydrogen, carbon, arom_carbon, oxygen, nitrogen; | ^~~~~~~~ main.cpp:302:21: warning: variable 'nonHB_nitrogen' set but not used [-Wunused-but-set-variable] 302 | int nonHB_hydrogen, nonHB_nitrogen, sulphur, nonHB_sulphur; | ^~~~~~~~~~~~~~ main.cpp:302:46: warning: variable 'nonHB_sulphur' set but not used [-Wunused-but-set-variable] 302 | int nonHB_hydrogen, nonHB_nitrogen, sulphur, nonHB_sulphur; | ^~~~~~~~~~~~~ main.cpp:305:5: warning: variable 'chlorine' set but not used [-Wunused-but-set-variable] 305 | int chlorine, bromine, fluorine, iodine; | ^~~~~~~~ main.cpp:305:15: warning: variable 'bromine' set but not used [-Wunused-but-set-variable] 305 | int chlorine, bromine, fluorine, iodine; | ^~~~~~~ main.cpp:305:24: warning: variable 'fluorine' set but not used [-Wunused-but-set-variable] 305 | int chlorine, bromine, fluorine, iodine; | ^~~~~~~~ main.cpp:305:34: warning: variable 'iodine' set but not used [-Wunused-but-set-variable] 305 | int chlorine, bromine, fluorine, iodine; | ^~~~~~ main.cpp:307:5: warning: variable 'map_hydrogen' set but not used [-Wunused-but-set-variable] 307 | int map_hydrogen, map_carbon, map_arom_carbon, map_oxygen, map_nitrogen; | ^~~~~~~~~~~~ main.cpp:307:19: warning: variable 'map_carbon' set but not used [-Wunused-but-set-variable] 307 | int map_hydrogen, map_carbon, map_arom_carbon, map_oxygen, map_nitrogen; | ^~~~~~~~~~ main.cpp:307:31: warning: variable 'map_arom_carbon' set but not used [-Wunused-but-set-variable] 307 | int map_hydrogen, map_carbon, map_arom_carbon, map_oxygen, map_nitrogen; | ^~~~~~~~~~~~~~~ main.cpp:307:48: warning: variable 'map_oxygen' set but not used [-Wunused-but-set-variable] 307 | int map_hydrogen, map_carbon, map_arom_carbon, map_oxygen, map_nitrogen; | ^~~~~~~~~~ main.cpp:307:60: warning: variable 'map_nitrogen' set but not used [-Wunused-but-set-variable] 307 | int map_hydrogen, map_carbon, map_arom_carbon, map_oxygen, map_nitrogen; | ^~~~~~~~~~~~ main.cpp:308:5: warning: variable 'map_nonHB_hydrogen' set but not used [-Wunused-but-set-variable] 308 | int map_nonHB_hydrogen, map_nonHB_nitrogen, map_sulphur, map_nonHB_sulphur; | ^~~~~~~~~~~~~~~~~~ main.cpp:308:25: warning: variable 'map_nonHB_nitrogen' set but not used [-Wunused-but-set-variable] 308 | int map_nonHB_hydrogen, map_nonHB_nitrogen, map_sulphur, map_nonHB_sulphur; | ^~~~~~~~~~~~~~~~~~ main.cpp:308:45: warning: variable 'map_sulphur' set but not used [-Wunused-but-set-variable] 308 | int map_nonHB_hydrogen, map_nonHB_nitrogen, map_sulphur, map_nonHB_sulphur; | ^~~~~~~~~~~ main.cpp:308:58: warning: variable 'map_nonHB_sulphur' set but not used [-Wunused-but-set-variable] 308 | int map_nonHB_hydrogen, map_nonHB_nitrogen, map_sulphur, map_nonHB_sulphur; | ^~~~~~~~~~~~~~~~~ main.cpp:309:5: warning: variable 'map_chlorine' set but not used [-Wunused-but-set-variable] 309 | int map_chlorine, map_bromine, map_fluorine, map_iodine; | ^~~~~~~~~~~~ main.cpp:309:19: warning: variable 'map_bromine' set but not used [-Wunused-but-set-variable] 309 | int map_chlorine, map_bromine, map_fluorine, map_iodine; | ^~~~~~~~~~~ main.cpp:309:32: warning: variable 'map_fluorine' set but not used [-Wunused-but-set-variable] 309 | int map_chlorine, map_bromine, map_fluorine, map_iodine; | ^~~~~~~~~~~~ main.cpp:309:46: warning: variable 'map_iodine' set but not used [-Wunused-but-set-variable] 309 | int map_chlorine, map_bromine, map_fluorine, map_iodine; | ^~~~~~~~~~ g++ -g -O2 -ffile-prefix-map=/build/autodocksuite-4.2.6=. -fstack-protector-strong -Wformat -Werror=format-security -flto -Wl,-z,relro -Wl,-z,now -Wl,--as-needed -flto -o autogrid4 autogrid4-main.o autogrid4-check_size.o autogrid4-setflags.o autogrid4-timesys.o autogrid4-timesyshms.o autogrid4-printhms.o autogrid4-prHMSfixed.o autogrid4-printdate.o autogrid4-strindex.o autogrid4-banner.o autogrid4-gpfparser.o autogrid4-parsetypes.o autogrid4-atom_parameter_manager.o autogrid4-read_parameter_library.o autogrid4-parse_param_line.o autogrid4-distdepdiel.o autogrid4-mingw_getrusage.o autogrid4-calc_vina_potential.o autogrid4-stop.o -lm make[3]: Leaving directory '/build/autodocksuite-4.2.6/autogrid' make[2]: Leaving directory '/build/autodocksuite-4.2.6/autogrid' make[1]: Leaving directory '/build/autodocksuite-4.2.6' debian/rules override_dh_auto_test make[1]: Entering directory '/build/autodocksuite-4.2.6' dh_auto_test --sourcedirectory=autodock cd autodock && make -j16 test "TESTSUITEFLAGS=-j16 --verbose" VERBOSE=1 make[2]: Entering directory '/build/autodocksuite-4.2.6/autodock' Running the Python3 test_autodock4.py unit-tests on autodock4 outputdir=`pwd` ;\ umask 0 ;\ test -d $outputdir/Testruns && chmod -fR a+w $outputdir/Testruns;\ test -d $outputdir/Testruns || mkdir $outputdir/Testruns ;\ cp ./AD4.1_bound.dat $outputdir/Testruns;\ cp ./AD4_parameters.dat $outputdir/Testruns;\ cp ./Tests/*.py $outputdir/Testruns;\ cp ./Tests/*.dpf $outputdir/Testruns;\ cp ./Tests/*.pdbqt $outputdir/Testruns;\ cp ./Tests/*.map* $outputdir/Testruns;\ chmod -fR a+w $outputdir/Testruns; cd Testruns; rm -f test_*.dlg ; \ python3 ./test_autodock4.py -d . -e ../autodock4 -o . ; ............................................./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback in 1pgp_no_extension in 1pgp_wrong_extension in 1pgp_two_extensions Running ../autodock4 using DPF "./1pgp_no_extension", saving results in "./test_1pgp_no_extension.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp.fpd", saving results in "./test_1pgp.fpd.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp.dpf.dpf", saving results in "./test_1pgp.dpf.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_timepid.dpf", saving results in "./test_1pgp_timepid.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_seed01.dpf", saving results in "./test_1pgp_seed01.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_seed37.dpf", saving results in "./test_1pgp_seed37.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_seedinttime.dpf", saving results in "./test_1pgp_seedinttime.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_epdb_flexres_intelec.dpf", saving results in "./test_1pgp_epdb_flexres_intelec.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_epdb_flexres_nointelec.dpf", saving results in "./test_1pgp_epdb_flexres_nointelec.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_epdb_etables.dpf", saving results in "./test_1pgp_epdb_etables.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_numoutlev.dpf", saving results in "./test_1pgp_numoutlev.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_symoutlev.dpf", saving results in "./test_1pgp_symoutlev.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_no_outlev.dpf", saving results in "./test_1pgp_no_outlev.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_illegal_outlev.dpf", saving results in "./test_1pgp_illegal_outlev.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_illegal_symoutlev.dpf", saving results in "./test_1pgp_illegal_symoutlev.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_mixed_basic_analysis.dpf", saving results in "./test_1pgp_mixed_basic_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_mixed_adt_analysis.dpf", saving results in "./test_1pgp_mixed_adt_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_ligand_types_map_mismatch.dpf", saving results in "./test_1pgp_ligand_types_map_mismatch.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_map_truncated.dpf", saving results in "./test_1pgp_map_truncated.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_illegal_keyword.dpf", saving results in "./test_1pgp_illegal_keyword.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_no_elecmap.dpf", saving results in "./test_1pgp_no_elecmap.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_no_desolvmap.dpf", saving results in "./test_1pgp_no_desolvmap.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_no_elec_desolv_maps.dpf", saving results in "./test_1pgp_no_elec_desolv_maps.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_too_many_ligand_types.dpf", saving results in "./test_1pgp_too_many_ligand_types.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_too_many_torsions.dpf", saving results in "./test_1pgp_too_many_torsions.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_just_right_number_torsions.dpf", saving results in "./test_1pgp_just_right_number_torsions.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_two_ligands.dpf", saving results in "./test_1pgp_two_ligands.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_two_mapsets.dpf", saving results in "./test_1pgp_two_mapsets.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_unbound_set_illegal.dpf", saving results in "./test_1pgp_unbound_set_illegal.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_unbound_model_illegal.dpf", saving results in "./test_1pgp_unbound_model_illegal.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_intnbpreps.dpf", saving results in "./test_1pgp_intnbpreps.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_intnbpreps_toofew.dpf", saving results in "./test_1pgp_intnbpreps_toofew.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_intnbpreps_illegal_atom.dpf", saving results in "./test_1pgp_intnbpreps_illegal_atom.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_intnbcoeffs.dpf", saving results in "./test_1pgp_intnbcoeffs.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_ga_select_tournament.dpf", saving results in "./test_1pgp_ga_select_tournament.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_ga_select_linear_ranking.dpf", saving results in "./test_1pgp_ga_select_linear_ranking.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_rmsmode_heavy_atoms_only_noH.dpf", saving results in "./test_1pgp_rmsmode_heavy_atoms_only_noH.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_rmsmode_all_heavy_atom_pairs_only.dpf", saving results in "./test_1pgp_rmsmode_all_heavy_atom_pairs_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_rmsmode_unique_heavy_atom_pairs_only.dpf", saving results in "./test_1pgp_rmsmode_unique_heavy_atom_pairs_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_simanneal_small.dpf", saving results in "./test_1pgp_simanneal_small.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_simanneal_small_geometric_schedule.dpf", saving results in "./test_1pgp_simanneal_small_geometric_schedule.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_ligrand_ga_only.dpf", saving results in "./test_1pgp_ligrand_ga_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_ga_only.dpf", saving results in "./test_1pgp_ga_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_outpopfil.dpf", saving results in "./test_1pgp_outpopfil.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_flexres.dpf", saving results in "./test_1pgp_flexres.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp.dpf", saving results in "./test_1pgp.dlg": Testing that DLG exists and AutoDock successfully completed. intermol_energy is now -6.17 total_internal is now -3.23 Testing that intermolecular energy = -6.17 kcal/mol. ../build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_no_parameter_file.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ..../build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_gals_use_defaults.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ..../build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_default.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_set0.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_set10.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_model_compact.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_model_bound.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_model_extended.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_compute_unbound_extended.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_model_value.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_ligrand_ga_only.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_ga_only.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_smooth0.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_flexres.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_flexres_1_4_50.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_flexres_1_4_100.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_1_4_50.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_1_4_100.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ...........Testing that internal energy = -3.23 kcal/mol. Running ../autodock4 using DPF "./1pgp_smaller.dpf", saving results in "./test_1pgp_smaller.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_no_parameter_file.dpf", saving results in "./test_1pgp_no_parameter_file.dlg": Testing that DLG exists and AutoDock successfully completed. intermol_energy is now -6.17 total_internal is now -3.23 Testing that intermolecular energy = -6.17 kcal/mol. Testing that internal energy = -3.23 kcal/mol. Running ../autodock4 using DPF "./1pgp_gals_set_sw1.dpf", saving results in "./test_1pgp_gals_set_sw1.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_no_set_psw1.dpf", saving results in "./test_1pgp_no_set_psw1.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_no_set_ga.dpf", saving results in "./test_1pgp_no_set_ga.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4 using DPF "./1pgp_gals_use_defaults.dpf", saving results in "./test_1pgp_gals_use_defaults.dlg": Testing that DLG exists and AutoDock successfully completed. intermol_energy is now -6.17 total_internal is now -3.23 Testing that intermolecular energy = -6.17 kcal/mol. Testing that internal energy = -3.23 kcal/mol. Running ../autodock4 using DPF "./1pgp_simanneal_10runs.dpf", saving results in "./test_1pgp_simanneal_10runs.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_lsonly_10runs.dpf", saving results in "./test_1pgp_lsonly_10runs.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_gals_10runs.dpf", saving results in "./test_1pgp_gals_10runs.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_unbound_default.dpf", saving results in "./test_1pgp_unbound_default.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now -3.23 Testing that unbound energy = -3.23 kcal/mol. unbound_energy= -3.23 Running ../autodock4 using DPF "./1pgp_unbound_set0.dpf", saving results in "./test_1pgp_unbound_set0.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now 0.0 Testing that unbound energy = 0.00 kcal/mol. unbound_energy= 0.0 Running ../autodock4 using DPF "./1pgp_unbound_set10.dpf", saving results in "./test_1pgp_unbound_set10.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now 10.0 Testing that unbound energy = 10.00 kcal/mol. unbound_energy= 10.0 Running ../autodock4 using DPF "./1pgp_unbound_model_compact.dpf", saving results in "./test_1pgp_unbound_model_compact.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now 0.0 Testing that unbound energy = 0.00 kcal/mol. unbound_energy= 0.0 Running ../autodock4 using DPF "./1pgp_unbound_model_bound.dpf", saving results in "./test_1pgp_unbound_model_bound.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now -3.23 Testing that unbound energy = -3.23 kcal/mol. unbound_energy= -3.23 Running ../autodock4 using DPF "./1pgp_unbound_model_extended.dpf", saving results in "./test_1pgp_unbound_model_extended.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now -0.75 Testing that unbound energy = -0.75 kcal/mol. unbound_energy= -0.75 Running ../autodock4 using DPF "./1pgp_unbound_compute_unbound_extended.dpf", saving results in "./test_1pgp_unbound_compute_unbound_extended.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now -0.75 Testing that unbound energy = -0.75 kcal/mol. unbound_energy= -0.75 Running ../autodock4 using DPF "./1pgp_unbound_model_value.dpf", saving results in "./test_1pgp_unbound_model_value.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now -3.12 Testing that unbound energy = -3.12 kcal/mol. unbound_energy= -3.12 Running ../autodock4 using DPF "./1pgp_ligrand_ga_only.dpf", saving results in "./test_1pgp_ligrand_ga_only.dlg": Testing that DLG exists and AutoDock successfully completed. binding_energy is now 1.39 Testing that binding energy = 1.39 kcal/mol. binding_energy= 1.39 Running ../autodock4 using DPF "./1pgp_ga_only.dpf", saving results in "./test_1pgp_ga_only.dlg": Testing that DLG exists and AutoDock successfully completed. binding_energy is now -4.08 Testing that binding energy = -4.08 kcal/mol. binding_energy= -4.08 Running ../autodock4 using DPF "./1pgp_smooth0.dpf", saving results in "./test_1pgp_smooth0.dlg": Testing that DLG exists and AutoDock successfully completed. binding_energy is now -5.87 Testing that binding energy = -5.87 kcal/mol. binding_energy= -5.87 Running ../autodock4 using DPF "./1pgp_flexres.dpf", saving results in "./test_1pgp_flexres.dlg": Testing that DLG exists and AutoDock successfully completed. not version 4.0! RETURNING!! binding_energy is now -4.33 Testing that binding energy = -4.33 kcal/mol. binding_energy= -4.33 Running ../autodock4 using DPF "./1pgp_flexres_1_4_50.dpf", saving results in "./test_1pgp_flexres_1_4_50.dlg": Testing that DLG exists and AutoDock successfully completed. not version 4.0! RETURNING!! binding_energy is now -4.33 Testing that binding energy = -4.33 kcal/mol. binding_energy= -4.33 Running ../autodock4 using DPF "./1pgp_flexres_1_4_100.dpf", saving results in "./test_1pgp_flexres_1_4_100.dlg": Testing that DLG exists and AutoDock successfully completed. not version 4.0! RETURNING!! binding_energy is now -4.33 Testing that binding energy = -4.33 kcal/mol. binding_energy= -4.33 Running ../autodock4 using DPF "./1pgp_1_4_50.dpf", saving results in "./test_1pgp_1_4_50.dlg": Testing that DLG exists and AutoDock successfully completed. binding_energy is now -4.08 Testing that binding energy = -4.08 kcal/mol. binding_energy= -4.08 Running ../autodock4 using DPF "./1pgp_1_4_100.dpf", saving results in "./test_1pgp_1_4_100.dlg": Testing that DLG exists and AutoDock successfully completed. binding_energy is now -3.49 Testing that binding energy = -3.49 kcal/mol. binding_energy= -3.49 Running ../autodock4 using DPF "./1pgp_about_only.dpf", saving results in "./test_1pgp_about_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_multipleabouts.dpf", saving results in "./test_1pgp_multipleabouts.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_about_auto_simanneal.dpf", saving results in "./test_1pgp_about_auto_simanneal.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_about_auto_ga_only.dpf", saving results in "./test_1pgp_about_auto_ga_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_about_auto_local_only.dpf", saving results in "./test_1pgp_about_auto_local_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_about_auto_gals.dpf", saving results in "./test_1pgp_about_auto_gals.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_ga_run_maxruns.dpf", saving results in "./test_1pgp_ga_run_maxruns.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_ga_run_maxruns_analysis.dpf", saving results in "./test_1pgp_ga_run_maxruns_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_mixed_maxruns.dpf", saving results in "./test_1pgp_mixed_maxruns.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_mixed_maxruns_analysis.dpf", saving results in "./test_1pgp_mixed_maxruns_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. ... ---------------------------------------------------------------------- Ran 84 tests in 111.158s OK Running ../autodock4 using DPF "./1pgp_mixed_maxruns_basic_analysis.dpf", saving results in "./test_1pgp_mixed_maxruns_basic_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_mixed_maxruns_adt_analysis.dpf", saving results in "./test_1pgp_mixed_maxruns_adt_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4 using DPF "./1pgp_overmaxruns.dpf", saving results in "./test_1pgp_overmaxruns.dlg": Testing that DLG exists and AutoDock did not complete. sys:1: ResourceWarning: unclosed file <_io.TextIOWrapper name='/dev/null' mode='w' encoding='utf-8'> Running the Python3 test_autodock4.py unit-tests on autodock4.omp cd Testruns; rm -f test_*.dlg ; \ python3 ./test_autodock4.py -d . -e ../autodock4.omp -o . ; .............................................in 1pgp_no_extension in 1pgp_wrong_extension in 1pgp_two_extensions Running ../autodock4.omp using DPF "./1pgp_no_extension", saving results in "./test_1pgp_no_extension.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp.fpd", saving results in "./test_1pgp.fpd.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp.dpf.dpf", saving results in "./test_1pgp.dpf.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_timepid.dpf", saving results in "./test_1pgp_timepid.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_seed01.dpf", saving results in "./test_1pgp_seed01.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_seed37.dpf", saving results in "./test_1pgp_seed37.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_seedinttime.dpf", saving results in "./test_1pgp_seedinttime.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_epdb_flexres_intelec.dpf", saving results in "./test_1pgp_epdb_flexres_intelec.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_epdb_flexres_nointelec.dpf", saving results in "./test_1pgp_epdb_flexres_nointelec.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_epdb_etables.dpf", saving results in "./test_1pgp_epdb_etables.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_numoutlev.dpf", saving results in "./test_1pgp_numoutlev.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_symoutlev.dpf", saving results in "./test_1pgp_symoutlev.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_no_outlev.dpf", saving results in "./test_1pgp_no_outlev.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_illegal_outlev.dpf", saving results in "./test_1pgp_illegal_outlev.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_illegal_symoutlev.dpf", saving results in "./test_1pgp_illegal_symoutlev.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_mixed_basic_analysis.dpf", saving results in "./test_1pgp_mixed_basic_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_mixed_adt_analysis.dpf", saving results in "./test_1pgp_mixed_adt_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_ligand_types_map_mismatch.dpf", saving results in "./test_1pgp_ligand_types_map_mismatch.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_map_truncated.dpf", saving results in "./test_1pgp_map_truncated.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_illegal_keyword.dpf", saving results in "./test_1pgp_illegal_keyword.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_no_elecmap.dpf", saving results in "./test_1pgp_no_elecmap.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_no_desolvmap.dpf", saving results in "./test_1pgp_no_desolvmap.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_no_elec_desolv_maps.dpf", saving results in "./test_1pgp_no_elec_desolv_maps.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_too_many_ligand_types.dpf", saving results in "./test_1pgp_too_many_ligand_types.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_too_many_torsions.dpf", saving results in "./test_1pgp_too_many_torsions.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_just_right_number_torsions.dpf", saving results in "./test_1pgp_just_right_number_torsions.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_two_ligands.dpf", saving results in "./test_1pgp_two_ligands.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_two_mapsets.dpf", saving results in "./test_1pgp_two_mapsets.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_unbound_set_illegal.dpf", saving results in "./test_1pgp_unbound_set_illegal.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_unbound_model_illegal.dpf", saving results in "./test_1pgp_unbound_model_illegal.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_intnbpreps.dpf", saving results in "./test_1pgp_intnbpreps.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_intnbpreps_toofew.dpf", saving results in "./test_1pgp_intnbpreps_toofew.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_intnbpreps_illegal_atom.dpf", saving results in "./test_1pgp_intnbpreps_illegal_atom.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_intnbcoeffs.dpf", saving results in "./test_1pgp_intnbcoeffs.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_ga_select_tournament.dpf", saving results in "./test_1pgp_ga_select_tournament.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_ga_select_linear_ranking.dpf", saving results in "./test_1pgp_ga_select_linear_ranking.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_rmsmode_heavy_atoms_only_noH.dpf", saving results in "./test_1pgp_rmsmode_heavy_atoms_only_noH.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_rmsmode_all_heavy_atom_pairs_only.dpf", saving results in "./test_1pgp_rmsmode_all_heavy_atom_pairs_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_rmsmode_unique_heavy_atom_pairs_only.dpf", saving results in "./test_1pgp_rmsmode_unique_heavy_atom_pairs_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_simanneal_small.dpf", saving results in "./test_1pgp_simanneal_small.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_simanneal_small_geometric_schedule.dpf", saving results in "./test_1pgp_simanneal_small_geometric_schedule.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_ligrand_ga_only.dpf", saving results in "./test_1pgp_ligrand_ga_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_ga_only.dpf", saving results in "./test_1pgp_ga_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_outpopfil.dpf", saving results in "./test_1pgp_outpopfil.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_flexres.dpf", saving results in "./test_1pgp_flexres.dlg": Testing that DLG exists and AutoDock successfully completed. /build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ../build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_no_parameter_file.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ..../build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_gals_use_defaults.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ..../build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_default.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_set0.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_set10.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_model_compact.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_model_bound.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_model_extended.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_compute_unbound_extended.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_unbound_model_value.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_ligrand_ga_only.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_ga_only.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_smooth0.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_flexres.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_flexres_1_4_50.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_flexres_1_4_100.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_1_4_50.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ./build/autodocksuite-4.2.6/autodock/Testruns/./test_autodock4.py:91: ResourceWarning: unclosed file <_io.TextIOWrapper name='./test_1pgp_1_4_100.dlg' mode='r' encoding='utf-8'> parser.parse( dlg ) ResourceWarning: Enable tracemalloc to get the object allocation traceback ......... Running ../autodock4.omp using DPF "./1pgp.dpf", saving results in "./test_1pgp.dlg": Testing that DLG exists and AutoDock successfully completed. intermol_energy is now -6.17 total_internal is now -3.23 Testing that intermolecular energy = -6.17 kcal/mol. Testing that internal energy = -3.23 kcal/mol. Running ../autodock4.omp using DPF "./1pgp_smaller.dpf", saving results in "./test_1pgp_smaller.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_no_parameter_file.dpf", saving results in "./test_1pgp_no_parameter_file.dlg": Testing that DLG exists and AutoDock successfully completed. intermol_energy is now -6.17 total_internal is now -3.23 Testing that intermolecular energy = -6.17 kcal/mol. Testing that internal energy = -3.23 kcal/mol. Running ../autodock4.omp using DPF "./1pgp_gals_set_sw1.dpf", saving results in "./test_1pgp_gals_set_sw1.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_no_set_psw1.dpf", saving results in "./test_1pgp_no_set_psw1.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_no_set_ga.dpf", saving results in "./test_1pgp_no_set_ga.dlg": Testing that DLG exists and AutoDock did not complete. Running ../autodock4.omp using DPF "./1pgp_gals_use_defaults.dpf", saving results in "./test_1pgp_gals_use_defaults.dlg": Testing that DLG exists and AutoDock successfully completed. intermol_energy is now -6.17 total_internal is now -3.23 Testing that intermolecular energy = -6.17 kcal/mol. Testing that internal energy = -3.23 kcal/mol. Running ../autodock4.omp using DPF "./1pgp_simanneal_10runs.dpf", saving results in "./test_1pgp_simanneal_10runs.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_lsonly_10runs.dpf", saving results in "./test_1pgp_lsonly_10runs.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_gals_10runs.dpf", saving results in "./test_1pgp_gals_10runs.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_unbound_default.dpf", saving results in "./test_1pgp_unbound_default.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now -3.23 Testing that unbound energy = -3.23 kcal/mol. unbound_energy= -3.23 Running ../autodock4.omp using DPF "./1pgp_unbound_set0.dpf", saving results in "./test_1pgp_unbound_set0.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now 0.0 Testing that unbound energy = 0.00 kcal/mol. unbound_energy= 0.0 Running ../autodock4.omp using DPF "./1pgp_unbound_set10.dpf", saving results in "./test_1pgp_unbound_set10.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now 10.0 Testing that unbound energy = 10.00 kcal/mol. unbound_energy= 10.0 Running ../autodock4.omp using DPF "./1pgp_unbound_model_compact.dpf", saving results in "./test_1pgp_unbound_model_compact.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now 0.0 Testing that unbound energy = 0.00 kcal/mol. unbound_energy= 0.0 Running ../autodock4.omp using DPF "./1pgp_unbound_model_bound.dpf", saving results in "./test_1pgp_unbound_model_bound.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now -3.23 Testing that unbound energy = -3.23 kcal/mol. unbound_energy= -3.23 Running ../autodock4.omp using DPF "./1pgp_unbound_model_extended.dpf", saving results in "./test_1pgp_unbound_model_extended.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now -0.75 Testing that unbound energy = -0.75 kcal/mol. unbound_energy= -0.75 Running ../autodock4.omp using DPF "./1pgp_unbound_compute_unbound_extended.dpf", saving results in "./test_1pgp_unbound_compute_unbound_extended.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now -0.75 Testing that unbound energy = -0.75 kcal/mol. unbound_energy= -0.75 Running ../autodock4.omp using DPF "./1pgp_unbound_model_value.dpf", saving results in "./test_1pgp_unbound_model_value.dlg": Testing that DLG exists and AutoDock successfully completed. unbound_energy is now -3.12 Testing that unbound energy = -3.12 kcal/mol. unbound_energy= -3.12 Running ../autodock4.omp using DPF "./1pgp_ligrand_ga_only.dpf", saving results in "./test_1pgp_ligrand_ga_only.dlg": Testing that DLG exists and AutoDock successfully completed. binding_energy is now 1.39 Testing that binding energy = 1.39 kcal/mol. binding_energy= 1.39 Running ../autodock4.omp using DPF "./1pgp_ga_only.dpf", saving results in "./test_1pgp_ga_only.dlg": Testing that DLG exists and AutoDock successfully completed. binding_energy is now -4.08 Testing that binding energy = -4.08 kcal/mol. binding_energy= -4.08 Running ../autodock4.omp using DPF "./1pgp_smooth0.dpf", saving results in "./test_1pgp_smooth0.dlg": Testing that DLG exists and AutoDock successfully completed. binding_energy is now -5.87 Testing that binding energy = -5.87 kcal/mol. binding_energy= -5.87 Running ../autodock4.omp using DPF "./1pgp_flexres.dpf", saving results in "./test_1pgp_flexres.dlg": Testing that DLG exists and AutoDock successfully completed. not version 4.0! RETURNING!! binding_energy is now -4.33 Testing that binding energy = -4.33 kcal/mol. binding_energy= -4.33 Running ../autodock4.omp using DPF "./1pgp_flexres_1_4_50.dpf", saving results in "./test_1pgp_flexres_1_4_50.dlg": Testing that DLG exists and AutoDock successfully completed. not version 4.0! RETURNING!! binding_energy is now -4.33 Testing that binding energy = -4.33 kcal/mol. binding_energy= -4.33 Running ../autodock4.omp using DPF "./1pgp_flexres_1_4_100.dpf", saving results in "./test_1pgp_flexres_1_4_100.dlg": Testing that DLG exists and AutoDock successfully completed. not version 4.0! RETURNING!! binding_energy is now -4.33 Testing that binding energy = -4.33 kcal/mol. binding_energy= -4.33 Running ../autodock4.omp using DPF "./1pgp_1_4_50.dpf", saving results in "./test_1pgp_1_4_50.dlg": Testing that DLG exists and AutoDock successfully completed. binding_energy is now -4.08 Testing that binding energy = -4.08 kcal/mol. binding_energy= -4.08 Running ../autodock4.omp using DPF "./1pgp_1_4_100.dpf", saving results in "./test_1pgp_1_4_100.dlg": Testing that DLG exists and AutoDock successfully completed. binding_energy is now -3.49 Testing that binding energy = -3.49 kcal/mol. binding_energy= -3.49 Running ../autodock4.omp using DPF "./1pgp_about_only.dpf", saving results in "./test_1pgp_about_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_multipleabouts.dpf", saving results in "./test_1pgp_multipleabouts.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_about_auto_simanneal.dpf", saving results in "./test_1pgp_about_auto_simanneal.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_about_auto_ga_only.dpf", saving results in "./test_1pgp_about_auto_ga_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_about_auto_local_only.dpf", saving results in "./test_1pgp_about_auto_local_only.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_about_auto_gals.dpf", saving results in "./test_1pgp_about_auto_gals.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_ga_run_maxruns.dpf", saving results in "./test_1pgp_ga_run_maxruns.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_ga_run_maxruns_analysis.dpf", saving results in "./test_1pgp_ga_run_maxruns_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. ..... ---------------------------------------------------------------------- Ran 84 tests in 80.278s OK Running ../autodock4.omp using DPF "./1pgp_mixed_maxruns.dpf", saving results in "./test_1pgp_mixed_maxruns.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_mixed_maxruns_analysis.dpf", saving results in "./test_1pgp_mixed_maxruns_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_mixed_maxruns_basic_analysis.dpf", saving results in "./test_1pgp_mixed_maxruns_basic_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_mixed_maxruns_adt_analysis.dpf", saving results in "./test_1pgp_mixed_maxruns_adt_analysis.dlg": Testing that DLG exists and AutoDock successfully completed. Running ../autodock4.omp using DPF "./1pgp_overmaxruns.dpf", saving results in "./test_1pgp_overmaxruns.dlg": Testing that DLG exists and AutoDock did not complete. sys:1: ResourceWarning: unclosed file <_io.TextIOWrapper name='/dev/null' mode='w' encoding='utf-8'> make[2]: Leaving directory '/build/autodocksuite-4.2.6/autodock' dh_auto_test --sourcedirectory=autogrid cd autogrid && make -j16 test "TESTSUITEFLAGS=-j16 --verbose" VERBOSE=1 make[2]: Entering directory '/build/autodocksuite-4.2.6/autogrid' Running the Python3 test_autogrid4.py unit-tests on autogrid4 outputdir=`pwd` ;\ umask 0 ;\ test -d $outputdir/Testruns && chmod -fR a+w $outputdir/Testruns;\ test -d $outputdir/Testruns || mkdir $outputdir/Testruns ;\ cp ./Tests/AD4.1_bound.dat $outputdir/Testruns;\ cp ./Tests/*.py $outputdir/Testruns;\ cp ./Tests/*.gpf $outputdir/Testruns;\ cp ./Tests/*.pdbqt $outputdir/Testruns;\ cp ./Tests/*.map* $outputdir/Testruns;\ chmod -fR a+w $outputdir/Testruns;\ cd $outputdir/Testruns;\ python3 ./test_autogrid4.py -d . -e ../autogrid4 -o . ................................ ../autogrid4: ERROR: Not enough map keywords found. . ../autogrid4: ERROR: No electrostatic map file defined. . ../autogrid4: ERROR: No desolvation map file defined. .... ../autogrid4: ERROR: syntax error, not 6 values in NBP_R_EPS line .. ---------------------------------------------------------------------- Ran 40 tests in 0.849s OK Running ../autogrid4 using GPF "./hsg1_sm.gpf", saving results in "./hsg1_sm.glg": Running ../autogrid4 using GPF "./hsg1_sm_no_parameter_file.gpf", saving results in "./hsg1_sm.glg": Running ../autogrid4 using GPF "./hsg1_no_receptor_types.gpf", saving results in "./hsg1_sm.glg": Running ../autogrid4 using GPF "./hsg1_no_receptor_types.gpf", saving results in "./hsg1_sm.glg": Running ../autogrid4 using GPF "./x1hpv_CASE1.gpf", saving results in "./test_x1hpv_CASE1.glg": after call to run_AutoGrid Testing that GLG exists and AutoGrid did not complete. Running ../autogrid4 using GPF "./x1hpv_CASE2.gpf", saving results in "./test_x1hpv_CASE2.glg": after call to run_AutoGrid Testing that GLG exists and AutoGrid did not complete. Running ../autogrid4 using GPF "./x1hpv_CASE3.gpf", saving results in "./test_x1hpv_CASE3.glg": after call to run_AutoGrid Testing that GLG exists and AutoGrid did not complete. Running ../autogrid4 using GPF "./x1hpv_CASE0.gpf", saving results in "./test_x1hpv_CASE0.glg": after call to run_AutoGrid Testing that GLG exists and AutoGrid successfully completed. Running ../autogrid4 using GPF "./hsg1_sm_nbpreps.gpf", saving results in "./test_hsg1_sm_nbpreps.glg": after call to run_AutoGrid Testing that GLG exists and AutoGrid successfully completed. Running ../autogrid4 using GPF "./hsg1_sm_nbpreps_illegal_atom.gpf", saving results in "./test_hsg1_sm_nbpreps_illegal_atom.glg": after call to run_AutoGrid Testing that GLG exists and AutoGrid successfully completed. Running ../autogrid4 using GPF "./hsg1_sm_nbpreps_toofew.gpf", saving results in "./test_hsg1_sm_nbpreps_toofew.glg": after call to run_AutoGrid Testing that GLG exists and AutoGrid did not complete. Running ../autogrid4 using GPF "./hsg1_sm_nbpcoeffs.gpf", saving results in "./test_hsg1_sm_nbpcoeffs.glg": after call to run_AutoGrid Testing that GLG exists and AutoGrid successfully completed. make[2]: Leaving directory '/build/autodocksuite-4.2.6/autogrid' make[1]: Leaving directory '/build/autodocksuite-4.2.6' create-stamp debian/debhelper-build-stamp dh_prep dh_installdirs debian/rules override_dh_auto_install-arch make[1]: Entering directory '/build/autodocksuite-4.2.6' dh_auto_install --sourcedirectory=autodock cd autodock && make -j16 install DESTDIR=/build/autodocksuite-4.2.6/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/autodocksuite-4.2.6/autodock' make install-am make[3]: Entering directory '/build/autodocksuite-4.2.6/autodock' make[4]: Entering directory '/build/autodocksuite-4.2.6/autodock' /bin/mkdir -p '/build/autodocksuite-4.2.6/debian/tmp/usr/bin' make[4]: Nothing to be done for 'install-data-am'. /usr/bin/install -c autodock4 autodock4.omp '/build/autodocksuite-4.2.6/debian/tmp/usr/bin' make[4]: Leaving directory '/build/autodocksuite-4.2.6/autodock' make[3]: Leaving directory '/build/autodocksuite-4.2.6/autodock' make[2]: Leaving directory '/build/autodocksuite-4.2.6/autodock' dh_auto_install --sourcedirectory=autogrid cd autogrid && make -j16 install DESTDIR=/build/autodocksuite-4.2.6/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/autodocksuite-4.2.6/autogrid' make install-am make[3]: Entering directory '/build/autodocksuite-4.2.6/autogrid' make[4]: Entering directory '/build/autodocksuite-4.2.6/autogrid' /bin/mkdir -p '/build/autodocksuite-4.2.6/debian/tmp/usr/bin' make[4]: Nothing to be done for 'install-data-am'. /usr/bin/install -c autogrid4 '/build/autodocksuite-4.2.6/debian/tmp/usr/bin' make[4]: Leaving directory '/build/autodocksuite-4.2.6/autogrid' make[3]: Leaving directory '/build/autodocksuite-4.2.6/autogrid' make[2]: Leaving directory '/build/autodocksuite-4.2.6/autogrid' make[1]: Leaving directory '/build/autodocksuite-4.2.6' debian/rules override_dh_install-indep make[1]: Entering directory '/build/autodocksuite-4.2.6' dh_install -i rm -rf /build/autodocksuite-4.2.6/debian/autodock-test/usr/share/autodock/Tests/AutoDockTools rm -rf /build/autodocksuite-4.2.6/debian/autogrid-test/usr/share/autogrid/Tests/CVS/ rm -rf /build/autodocksuite-4.2.6/debian/autodock-test/usr/share/autodock/Tests/CVS/ make[1]: Leaving directory '/build/autodocksuite-4.2.6' dh_install -Nautodock-test -Nautogrid-test -Nautodock-getdata dh_installdocs debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/autodocksuite-4.2.6' dh_installchangelogs autodock/RELEASENOTES make[1]: Leaving directory '/build/autodocksuite-4.2.6' dh_installman dh_perl dh_link dh_strip_nondeterminism dh_compress debian/rules override_dh_fixperms-indep make[1]: Entering directory '/build/autodocksuite-4.2.6' dh_fixperms chmod 644 /build/autodocksuite-4.2.6/debian/autodock-test/usr/share/autodock/Tests/* chmod 644 /build/autodocksuite-4.2.6/debian/autogrid-test/usr/share/autogrid/Tests/* make[1]: Leaving directory '/build/autodocksuite-4.2.6' dh_fixperms -Nautodock-test -Nautogrid-test -Nautodock-getdata debian/rules override_dh_missing make[1]: Entering directory '/build/autodocksuite-4.2.6' find debian -name autodock4.omp -delete dh_missing make[1]: Leaving directory '/build/autodocksuite-4.2.6' dh_dwz -a dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dh_installdeb dh_gencontrol dh_md5sums dh_builddeb dpkg-deb: building package 'autodock' in '../autodock_4.2.6-9_amd64.deb'. dpkg-deb: building package 'autodock-dbgsym' in '../autodock-dbgsym_4.2.6-9_amd64.deb'. dpkg-deb: building package 'autogrid-dbgsym' in '../autogrid-dbgsym_4.2.6-9_amd64.deb'. dpkg-deb: building package 'autogrid' in '../autogrid_4.2.6-9_amd64.deb'. dpkg-deb: building package 'autogrid-test' in '../autogrid-test_4.2.6-9_all.deb'. dpkg-deb: building package 'autodock-test' in '../autodock-test_4.2.6-9_all.deb'. dpkg-deb: building package 'autodock-getdata' in '../autodock-getdata_4.2.6-9_all.deb'. dpkg-genbuildinfo --build=binary -O../autodocksuite_4.2.6-9_amd64.buildinfo dpkg-genchanges --build=binary -O../autodocksuite_4.2.6-9_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration 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/3374011 and its subdirectories I: Current time: Sat Jun 1 04:13:53 -12 2024 I: pbuilder-time-stamp: 1717258433 Sun Apr 30 09:50:51 UTC 2023 I: 1st build successful. Starting 2nd build on remote node ionos1-amd64.debian.net. Sun Apr 30 09:50:51 UTC 2023 I: Preparing to do remote build '2' on ionos1-amd64.debian.net. Sun Apr 30 09:54:08 UTC 2023 I: Deleting $TMPDIR on ionos1-amd64.debian.net. Sun Apr 30 09:54:09 UTC 2023 I: autodocksuite_4.2.6-9_amd64.changes: Format: 1.8 Date: Sun, 20 Feb 2022 10:48:33 +0100 Source: autodocksuite Binary: autodock autodock-dbgsym autodock-getdata autodock-test autogrid autogrid-dbgsym autogrid-test Architecture: amd64 all Version: 4.2.6-9 Distribution: unstable Urgency: medium Maintainer: Debian Med Packaging Team Changed-By: Andreas Tille Description: autodock - analysis of ligand binding to protein structure autodock-getdata - instructions for getData to collect compounds autodock-test - test files for AutoDock autogrid - pre-calculate binding of ligands to their receptor autogrid-test - test files for AutoGrid Changes: autodocksuite (4.2.6-9) unstable; urgency=medium . * Fix watch file (using just http instead of https due to wrong certificate) * Standards-Version: 4.6.0 (routine-update) Checksums-Sha1: 6462fa6ba7084460060993152efa01aed6c09427 503616 autodock-dbgsym_4.2.6-9_amd64.deb 788026a881ca0871401f836d0fbfd1019f0222dc 16956 autodock-getdata_4.2.6-9_all.deb ba230a8900ce38942bc03e7de1807fa2d368b095 3225796 autodock-test_4.2.6-9_all.deb c8ad89d91fc6674634e76bf085b27e5394a62af6 167312 autodock_4.2.6-9_amd64.deb 1e89a1c3dbf7382f4732ffc25281c8ec8bca250a 6886 autodocksuite_4.2.6-9_amd64.buildinfo aacf37d260e2742aef2e73c5ad06865669e880b3 97440 autogrid-dbgsym_4.2.6-9_amd64.deb acbb6c2bb2f47c49eb7cf1d763d5a501e3170f63 66728 autogrid-test_4.2.6-9_all.deb 941440153f2218828cd6e44ec686f2b1398dd8e5 46644 autogrid_4.2.6-9_amd64.deb Checksums-Sha256: 933547b52e92719ebbddf65909e2af8949f7ed57ff79acefe463cc8c46dbf3e5 503616 autodock-dbgsym_4.2.6-9_amd64.deb e4e12ba48e0944b823b44b5d85e4eb17b0be98502a55e3b8110f0d051613d9b9 16956 autodock-getdata_4.2.6-9_all.deb 9d6ab736c2e7a0ca74d0be1cce7676265d1466f0fa7a185cbc18bd46924e0ef5 3225796 autodock-test_4.2.6-9_all.deb a425e53a94393d7127180f7dca42e7d012d7acc1afc83759b108cc8e57a8fa70 167312 autodock_4.2.6-9_amd64.deb 232916218a15e91069d19e92734d2572406841e156dbcccd2090093645e903de 6886 autodocksuite_4.2.6-9_amd64.buildinfo 05e3883e1154e3924424f959ea30c3ca952e70271e29c925ed1dc6f04acd5ac4 97440 autogrid-dbgsym_4.2.6-9_amd64.deb 733fdca8b37c9b4ed6aabf3423a6e2924e259e73ce6689131bde3789ee16cfe8 66728 autogrid-test_4.2.6-9_all.deb 9df44511dd0ab85623fa11b6a0cde60e416df525a179799819ccd9489d6c517d 46644 autogrid_4.2.6-9_amd64.deb Files: 4fa4bc675d908b1d901c5a19ea9dc3ea 503616 debug optional autodock-dbgsym_4.2.6-9_amd64.deb f383529149409dab07ec0fd72f487b84 16956 science optional autodock-getdata_4.2.6-9_all.deb b03bcc3f88572aa41debf9170d3377fe 3225796 science optional autodock-test_4.2.6-9_all.deb f603751a36de87f389992bf2bd504f06 167312 science optional autodock_4.2.6-9_amd64.deb f1948eea8f979d82d95c35f3fbcbf381 6886 science optional autodocksuite_4.2.6-9_amd64.buildinfo 49dee3cc34531aa1b636aff1b6865c41 97440 debug optional autogrid-dbgsym_4.2.6-9_amd64.deb 81974a61f013a81624fc6595cc2393c3 66728 science optional autogrid-test_4.2.6-9_all.deb ab5cb4e7dc752d05629a96233ed92cb0 46644 science optional autogrid_4.2.6-9_amd64.deb Sun Apr 30 09:54:10 UTC 2023 I: diffoscope 241 will be used to compare the two builds: # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.1HsXfkC0/autodocksuite_4.2.6-9.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.1HsXfkC0/autodocksuite_4.2.6-9.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.1HsXfkC0/autodocksuite_4.2.6-9.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.1HsXfkC0/b1/autodocksuite_4.2.6-9_amd64.changes /srv/reproducible-results/rbuild-debian/r-b-build.1HsXfkC0/b2/autodocksuite_4.2.6-9_amd64.changes ## command (total time: 0.000s) 0.000s 1 call cmp (internal) ## has_same_content_as (total time: 0.000s) 0.000s 1 call abc.DotChangesFile ## main (total time: 1.182s) 1.182s 2 calls outputs 0.000s 1 call cleanup ## recognizes (total time: 0.062s) 0.061s 12 calls diffoscope.comparators.binary.FilesystemFile 0.000s 10 calls abc.DotChangesFile ## specialize (total time: 0.000s) 0.000s 1 call specialize Sun Apr 30 09:54:12 UTC 2023 I: diffoscope 241 found no differences in the changes files, and a .buildinfo file also exists. Sun Apr 30 09:54:12 UTC 2023 I: autodocksuite from bookworm built successfully and reproducibly on amd64. Sun Apr 30 09:54:13 UTC 2023 I: Submitting .buildinfo files to external archives: Sun Apr 30 09:54:13 UTC 2023 I: Submitting 8.0K b1/autodocksuite_4.2.6-9_amd64.buildinfo.asc Sun Apr 30 09:54:14 UTC 2023 I: Submitting 8.0K b2/autodocksuite_4.2.6-9_amd64.buildinfo.asc Sun Apr 30 09:54:15 UTC 2023 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Sun Apr 30 09:54:15 UTC 2023 I: Done submitting .buildinfo files. Sun Apr 30 09:54:15 UTC 2023 I: Removing signed autodocksuite_4.2.6-9_amd64.buildinfo.asc files: removed './b1/autodocksuite_4.2.6-9_amd64.buildinfo.asc' removed './b2/autodocksuite_4.2.6-9_amd64.buildinfo.asc'