Input buildinfo: https://buildinfos.debian.net/buildinfo-pool/a/amp/amp_0.6.1-1+b5_amd64.buildinfo Use metasnap for getting required timestamps New buildinfo file: /tmp/amp-0.6.1-1+b5x39ybzoj/amp_0.6.1-1+b5_amd64.buildinfo Get source package info: amp=0.6.1-1 Source URL: http://snapshot.notset.fr/mr/package/amp/0.6.1-1/srcfiles?fileinfo=1 env -i PATH=/usr/sbin:/usr/bin:/sbin:/bin TMPDIR=/tmp mmdebstrap --arch=amd64 --include=adduser=3.118 autoconf=2.71-2 automake=1:1.16.5-1.1 autopoint=0.21-4 autotools-dev=20180224.1+nmu1 base-files=12 base-passwd=3.5.52 bash=5.1-3.1 binutils=2.37-9 binutils-common=2.37-9 binutils-x86-64-linux-gnu=2.37-9 bsdextrautils=2.37.2-4 bsdutils=1:2.37.2-4 build-essential=12.9 bzip2=1.0.8-4 coreutils=8.32-4.1 cpp=4:11.2.0-2 cpp-11=11.2.0-12 dash=0.5.11+git20210903+057cd650a4ed-3 debconf=1.5.79 debhelper=13.5.2 debianutils=5.5-1 dh-autoreconf=20 dh-python=5.20211114 dh-strip-nondeterminism=1.12.0-2 diffutils=1:3.7-5 dpkg=1.20.9 dpkg-dev=1.20.9 dwz=0.14-1 file=1:5.41-2 findutils=4.8.0-1 fonts-dejavu-core=2.37-2 fonts-font-awesome=5.0.10+really4.7.0~dfsg-4.1 fonts-glyphicons-halflings=1.009~3.4.1+dfsg-2 fonts-lyx=2.3.6-1 g++=4:11.2.0-2 g++-11=11.2.0-12 gcc=4:11.2.0-2 gcc-11=11.2.0-12 gcc-11-base=11.2.0-12 gettext=0.21-4 gettext-base=0.21-4 gfortran=4:11.2.0-2 gfortran-11=11.2.0-12 grep=3.7-1 groff-base=1.22.4-7 gzip=1.10-4 hostname=3.23 init-system-helpers=1.60 intltool-debian=0.35.0+20060710.5 libacl1=2.3.1-1 libarchive-zip-perl=1.68-1 libasan6=11.2.0-12 libatomic1=11.2.0-12 libattr1=1:2.5.1-1 libaudit-common=1:3.0.6-1 libaudit1=1:3.0.6-1 libbinutils=2.37-9 libblas3=3.10.0-1 libblkid1=2.37.2-4 libbrotli1=1.0.9-2+b3 libbsd0=0.11.3-1 libbz2-1.0=1.0.8-4 libc-bin=2.32-4 libc-dev-bin=2.32-4 libc6=2.32-4 libc6-dev=2.32-4 libcap-ng0=0.7.9-2.2+b1 libcap2=1:2.44-1 libcbor0.8=0.8.0-1 libcc1-0=11.2.0-12 libcom-err2=1.46.4-1 libcrypt-dev=1:4.4.26-1 libcrypt1=1:4.4.26-1 libctf-nobfd0=2.37-9 libctf0=2.37-9 libdb5.3=5.3.28+dfsg1-0.8 libdebconfclient0=0.261 libdebhelper-perl=13.5.2 libdeflate0=1.8-1 libdpkg-perl=1.20.9 libedit2=3.1-20210910-1 libelf1=0.186-1 libexpat1=2.4.1-3 libexpat1-dev=2.4.1-3 libffi8=3.4.2-3 libfido2-1=1.9.0-1 libfile-stripnondeterminism-perl=1.12.0-2 libfreetype6=2.11.0+dfsg-1 libfribidi0=1.0.8-2 libgcc-11-dev=11.2.0-12 libgcc-s1=11.2.0-12 libgcrypt20=1.9.4-3+b1 libgdbm-compat4=1.22-1 libgdbm6=1.22-1 libgfortran-11-dev=11.2.0-12 libgfortran5=11.2.0-12 libglib2.0-0=2.70.1-1 libgmp10=2:6.2.1+dfsg-3 libgomp1=11.2.0-12 libgpg-error0=1.42-3 libgraphite2-3=1.3.14-1 libgssapi-krb5-2=1.18.3-7 libharfbuzz0b=2.7.4-1 libicu67=67.1-7 libimagequant0=2.12.2-1.1 libisl23=0.24-2 libitm1=11.2.0-12 libjbig0=2.1-3.1+b2 libjpeg62-turbo=1:2.1.1-2 libjs-bootstrap=3.4.1+dfsg-2 libjs-jquery=3.5.1+dfsg+~3.5.5-8 libjs-jquery-ui=1.13.0+dfsg-1 libjs-sphinxdoc=4.2.0-5 libjs-underscore=1.9.1~dfsg-4 libk5crypto3=1.18.3-7 libkeyutils1=1.6.1-2 libkrb5-3=1.18.3-7 libkrb5support0=1.18.3-7 liblapack3=3.10.0-1 liblbfgsb0=3.0+dfsg.3-9 liblcms2-2=2.12~rc1-2 liblsan0=11.2.0-12 liblz4-1=1.9.3-2 liblzma5=5.2.5-2 libmagic-mgc=1:5.41-2 libmagic1=1:5.41-2 libmd0=1.0.4-1 libmount1=2.37.2-4 libmpc3=1.2.1-1 libmpdec3=2.5.1-2 libmpfr6=4.1.0-3 libncurses6=6.3-1 libncursesw6=6.3-1 libnorm1=1.5.9+dfsg-2 libnsl-dev=1.3.0-2 libnsl2=1.3.0-2 libopenjp2-7=2.4.0-3 libpam-modules=1.4.0-10 libpam-modules-bin=1.4.0-10 libpam-runtime=1.4.0-10 libpam0g=1.4.0-10 libpcre2-8-0=10.39-3 libpcre3=2:8.39-13 libperl5.32=5.32.1-6 libpgm-5.3-0=5.3.128~dfsg-2 libpipeline1=1.5.4-1 libpng16-16=1.6.37-3 libprocps8=2:3.3.17-5 libpython3-all-dev=3.9.8-1 libpython3-dev=3.9.8-1 libpython3-stdlib=3.9.8-1 libpython3.10=3.10.0-5 libpython3.10-dev=3.10.0-5 libpython3.10-minimal=3.10.0-5 libpython3.10-stdlib=3.10.0-5 libpython3.9=3.9.9-1 libpython3.9-dev=3.9.9-1 libpython3.9-minimal=3.9.9-1 libpython3.9-stdlib=3.9.9-1 libqhull-r8.0=2020.2-4 libquadmath0=11.2.0-12 libraqm0=0.7.0-4 libreadline8=8.1-2 libseccomp2=2.5.2-2 libselinux1=3.3-1 libsemanage-common=3.3-1 libsemanage2=3.3-1 libsepol2=3.3-1 libsigsegv2=2.13-1 libsmartcols1=2.37.2-4 libsodium23=1.0.18-1 libsqlite3-0=3.36.0-2 libssl1.1=1.1.1l-1 libstdc++-11-dev=11.2.0-12 libstdc++6=11.2.0-12 libsub-override-perl=0.09-2 libsystemd0=249.6-2 libtiff5=4.3.0-2 libtinfo6=6.3-1 libtirpc-common=1.3.2-2 libtirpc-dev=1.3.2-2 libtirpc3=1.3.2-2 libtool=2.4.6-15 libtsan0=11.2.0-12 libubsan1=11.2.0-12 libuchardet0=0.0.7-1 libudev1=249.6-2 libunistring2=0.9.10-6 libuuid1=2.37.2-4 libwebp6=0.6.1-2.1 libwebpdemux2=0.6.1-2.1 libwebpmux3=0.6.1-2.1 libwrap0=7.6.q-31 libxau6=1:1.0.9-1 libxcb1=1.14-3 libxdmcp6=1:1.1.2-3 libxml2=2.9.12+dfsg-5+b1 libxslt1.1=1.1.34-4 libzmq5=4.3.4-1 libzstd1=1.4.8+dfsg-3 linux-libc-dev=5.14.16-1 login=1:4.8.1-2 lsb-base=11.1.0 m4=1.4.18-5 mailcap=3.70 make=4.3-4.1 man-db=2.9.4-2 mawk=1.3.4.20200120-2 media-types=4.0.0 mime-support=3.66 ncurses-base=6.3-1 ncurses-bin=6.3-1 openssh-client=1:8.7p1-2 openssh-server=1:8.7p1-2 openssh-sftp-server=1:8.7p1-2 passwd=1:4.8.1-2 patch=2.7.6-7 perl=5.32.1-6 perl-base=5.32.1-6 perl-modules-5.32=5.32.1-6 po-debconf=1.0.21+nmu1 procps=2:3.3.17-5 python-matplotlib-data=3.5.0-1 python3=3.9.8-1 python3-all=3.9.8-1 python3-all-dev=3.9.8-1 python3-appdirs=1.4.4-1 python3-ase=3.22.0-1 python3-attr=20.3.0-1 python3-brotli=1.0.9-2+b3 python3-cycler=0.11.0-1 python3-dateutil=2.8.1-6 python3-decorator=4.4.2-2 python3-dev=3.9.8-1 python3-distutils=3.9.9-2 python3-fonttools=4.27.1-1+b1 python3-fs=2.4.12-1 python3-kiwisolver=1.3.2-1+b1 python3-lib2to3=3.9.9-2 python3-lxml=4.6.4-1 python3-lz4=3.1.3+dfsg-1+b1 python3-matplotlib=3.5.0-1 python3-minimal=3.9.8-1 python3-mpmath=1.2.1-2 python3-nose=1.3.7-8 python3-numpy=1:1.21.4-2 python3-packaging=21.2-1 python3-pexpect=4.8.0-2 python3-pil=8.3.2-1+b1 python3-pkg-resources=58.2.0-1 python3-ptyprocess=0.7.0-2 python3-pyparsing=2.4.7-1 python3-scipy=1.7.1-2+b1 python3-setuptools=58.2.0-1 python3-six=1.16.0-2 python3-spglib=1.16.2-2+b2 python3-sympy=1.7.1-3 python3-tz=2021.3-1 python3-ufolib2=0.11.1+dfsg1-1 python3-zmq=22.3.0-1+b1 python3.10=3.10.0-5 python3.10-dev=3.10.0-5 python3.10-minimal=3.10.0-5 python3.9=3.9.9-1 python3.9-dev=3.9.9-1 python3.9-minimal=3.9.9-1 readline-common=8.1-2 rpcsvc-proto=1.4.2-4 runit-helper=2.10.3 sed=4.8-1 sensible-utils=0.0.17 sysvinit-utils=3.00-1 tar=1.34+dfsg-1 tzdata=2021e-1 ucf=3.0043 unicode-data=14.0.0-1.1 util-linux=2.37.2-4 xz-utils=5.2.5-2 zlib1g=1:1.2.11.dfsg-2 zlib1g-dev=1:1.2.11.dfsg-2 --variant=apt --aptopt=Acquire::Check-Valid-Until "false" --aptopt=Acquire::http::Dl-Limit "1000"; --aptopt=Acquire::https::Dl-Limit "1000"; --aptopt=Acquire::Retries "5"; --aptopt=APT::Get::allow-downgrades "true"; --keyring=/usr/share/keyrings/ --essential-hook=chroot "$1" sh -c "apt-get --yes install fakeroot util-linux" --essential-hook=copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ --essential-hook=chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20211125T084445Z/ unstable main deb http://snapshot.notset.fr/archive/debian/20211118T084946Z/ unstable main' >> /etc/apt/sources.list && apt-get update" --customize-hook=chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash --customize-hook=chroot "$1" env sh -c "apt-get source --only-source -d amp=0.6.1-1 && mkdir -p /build/amp-8HGaLP && dpkg-source --no-check -x /*.dsc /build/amp-8HGaLP/amp-0.6.1 && cd /build/amp-8HGaLP/amp-0.6.1 && { printf '%s' 'amp (0.6.1-1+b5) sid; urgency=low, binary-only=yes * Binary-only non-maintainer upload for amd64; no source changes. * Add Python 3.10 as supported version -- amd64 / i386 Build Daemon (x86-csail-01) Sun, 21 Nov 2021 22:01:39 +0000 '; cat debian/changelog; } > debian/changelog.debrebuild && mv debian/changelog.debrebuild debian/changelog && chown -R builduser:builduser /build/amp-8HGaLP" --customize-hook=chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/amp-8HGaLP/amp-0.6.1 && env DEB_BUILD_OPTIONS="parallel=4" LC_ALL="C.UTF-8" LC_COLLATE="C.UTF-8" SOURCE_DATE_EPOCH="1637532099" DEB_BUILD_OPTIONS=nocheck dpkg-buildpackage -uc -a amd64 --build=any" --customize-hook=sync-out /build/amp-8HGaLP /tmp/amp-0.6.1-1+b5x39ybzoj bookworm /dev/null deb http://snapshot.notset.fr/archive/debian/20211118T084946Z unstable main I: automatically chosen mode: root I: chroot architecture amd64 is equal to the host's architecture I: automatically chosen format: tar I: using /tmp/mmdebstrap.Fk6a5T1CHF as tempdir I: running apt-get update... I: downloading packages with apt... I: extracting archives... I: installing essential packages... I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "apt-get --yes install fakeroot util-linux"' exec /tmp/mmdebstrap.Fk6a5T1CHF Reading package lists... Building dependency tree... util-linux is already the newest version (2.37.2-4). The following NEW packages will be installed: fakeroot libfakeroot 0 upgraded, 2 newly installed, 0 to remove and 0 not upgraded. Need to get 134 kB of archives. After this operation, 397 kB of additional disk space will be used. Get:1 http://snapshot.notset.fr/archive/debian/20211118T084946Z unstable/main amd64 libfakeroot amd64 1.26-1 [47.3 kB] Get:2 http://snapshot.notset.fr/archive/debian/20211118T084946Z unstable/main amd64 fakeroot amd64 1.26-1 [87.1 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 134 kB in 0s (1049 kB/s) Selecting previously unselected package libfakeroot: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 ... 4669 files and directories currently installed.) Preparing to unpack .../libfakeroot_1.26-1_amd64.deb ... Unpacking libfakeroot:amd64 (1.26-1) ... Selecting previously unselected package fakeroot. Preparing to unpack .../fakeroot_1.26-1_amd64.deb ... Unpacking fakeroot (1.26-1) ... Setting up libfakeroot:amd64 (1.26-1) ... Setting up fakeroot (1.26-1) ... update-alternatives: using /usr/bin/fakeroot-sysv to provide /usr/bin/fakeroot (fakeroot) in auto mode Processing triggers for libc-bin (2.32-4) ... I: running special hook: copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20211125T084445Z/ unstable main deb http://snapshot.notset.fr/archive/debian/20211118T084946Z/ unstable main' >> /etc/apt/sources.list && apt-get update"' exec /tmp/mmdebstrap.Fk6a5T1CHF Get:1 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm InRelease [81.6 kB] Get:2 http://snapshot.notset.fr/archive/debian/20211125T084445Z unstable InRelease [165 kB] Hit:3 http://snapshot.notset.fr/archive/debian/20211118T084946Z unstable InRelease Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Get:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources [11.4 MB] Get:5 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages [11.1 MB] Ign:6 http://snapshot.notset.fr/archive/debian/20211125T084445Z unstable/main amd64 Packages Err:6 http://snapshot.notset.fr/archive/debian/20211125T084445Z unstable/main amd64 Packages 404 Not Found [IP: 10.13.0.253 80] Ign:6 http://snapshot.notset.fr/archive/debian/20211125T084445Z unstable/main amd64 Packages Get:6 http://snapshot.notset.fr/archive/debian/20211125T084445Z unstable/main amd64 Packages [12.0 MB] Fetched 34.8 MB in 29s (1218 kB/s) Reading package lists... I: installing remaining packages inside the chroot... I: running --customize-hook in shell: sh -c 'chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash' exec /tmp/mmdebstrap.Fk6a5T1CHF I: running --customize-hook in shell: sh -c 'chroot "$1" env sh -c "apt-get source --only-source -d amp=0.6.1-1 && mkdir -p /build/amp-8HGaLP && dpkg-source --no-check -x /*.dsc /build/amp-8HGaLP/amp-0.6.1 && cd /build/amp-8HGaLP/amp-0.6.1 && { printf '%s' 'amp (0.6.1-1+b5) sid; urgency=low, binary-only=yes * Binary-only non-maintainer upload for amd64; no source changes. * Add Python 3.10 as supported version -- amd64 / i386 Build Daemon (x86-csail-01) Sun, 21 Nov 2021 22:01:39 +0000 '; cat debian/changelog; } > debian/changelog.debrebuild && mv debian/changelog.debrebuild debian/changelog && chown -R builduser:builduser /build/amp-8HGaLP"' exec /tmp/mmdebstrap.Fk6a5T1CHF Reading package lists... NOTICE: 'amp' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/science-team/amp.git Please use: git clone https://salsa.debian.org/science-team/amp.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 3256 kB of source archives. Get:1 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amp 0.6.1-1 (dsc) [2095 B] Get:2 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amp 0.6.1-1 (tar) [3250 kB] Get:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amp 0.6.1-1 (diff) [3428 B] Fetched 3256 kB in 3s (1262 kB/s) Download complete and in download only mode W: Download is performed unsandboxed as root as file 'amp_0.6.1-1.dsc' couldn't be accessed by user '_apt'. - pkgAcquire::Run (13: Permission denied) dpkg-source: info: extracting amp in /build/amp-8HGaLP/amp-0.6.1 dpkg-source: info: unpacking amp_0.6.1.orig.tar.gz dpkg-source: info: unpacking amp_0.6.1-1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying 01_Makefile.patch dpkg-source: info: applying 03_tools.patch I: running --customize-hook in shell: sh -c 'chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/amp-8HGaLP/amp-0.6.1 && env DEB_BUILD_OPTIONS="parallel=4" LC_ALL="C.UTF-8" LC_COLLATE="C.UTF-8" SOURCE_DATE_EPOCH="1637532099" DEB_BUILD_OPTIONS=nocheck dpkg-buildpackage -uc -a amd64 --build=any"' exec /tmp/mmdebstrap.Fk6a5T1CHF dpkg-buildpackage: info: source package amp dpkg-buildpackage: info: source version 0.6.1-1+b5 dpkg-buildpackage: info: source distribution sid dpkg-buildpackage: info: source changed by amd64 / i386 Build Daemon (x86-csail-01) dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 fakeroot debian/rules clean dh clean --with python3 --buildsystem=pybuild debian/rules override_dh_auto_clean make[1]: Entering directory '/build/amp-8HGaLP/amp-0.6.1' dh_auto_clean I: pybuild base:237: python3.10 setup.py clean /usr/lib/python3.10/distutils/dist.py:274: UserWarning: Unknown distribution option: 'install_requires' warnings.warn(msg) running clean removing '/build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build' (and everything under it) 'build/bdist.linux-x86_64' does not exist -- can't clean it 'build/scripts.linux-x86_64-3.10' does not exist -- can't clean it I: pybuild base:237: python3.9 setup.py clean /usr/lib/python3.9/distutils/dist.py:274: UserWarning: Unknown distribution option: 'install_requires' warnings.warn(msg) running clean removing '/build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build' (and everything under it) 'build/bdist.linux-x86_64' does not exist -- can't clean it 'build/scripts.linux-x86_64-3.9' does not exist -- can't clean it rm -rf amp.egg-info/ find . -name "*.json" -delete find . -name "*-train-log.txt" -delete find . -name "*.pyc" -delete find . -name "*.o" -delete find . -name "*.mod" -delete find . -name "*.so" -delete make[1]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1' dh_autoreconf_clean -O--buildsystem=pybuild dh_clean -O--buildsystem=pybuild debian/rules build-arch dh build-arch --with python3 --buildsystem=pybuild dh_update_autotools_config -a -O--buildsystem=pybuild dh_autoreconf -a -O--buildsystem=pybuild dh_auto_configure -a -O--buildsystem=pybuild I: pybuild base:237: python3.10 setup.py config /usr/lib/python3.10/distutils/dist.py:274: UserWarning: Unknown distribution option: 'install_requires' warnings.warn(msg) running config I: pybuild base:237: python3.9 setup.py config /usr/lib/python3.9/distutils/dist.py:274: UserWarning: Unknown distribution option: 'install_requires' warnings.warn(msg) running config dh_auto_build -a -O--buildsystem=pybuild I: pybuild pybuild:285: make -C amp python3.10 python3.9 make[1]: Entering directory '/build/amp-8HGaLP/amp-0.6.1/amp' Building for python3.10 (3.10) make -C model make[2]: Entering directory '/build/amp-8HGaLP/amp-0.6.1/amp/model' gfortran -c neuralnetwork.f90 cp neuralnetwork.mod .. make[2]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1/amp/model' make -C descriptor make[2]: Entering directory '/build/amp-8HGaLP/amp-0.6.1/amp/descriptor' gfortran -c cutoffs.f90 cp cutoffs.mod .. make[2]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1/amp/descriptor' f2py3.10 -c -m fmodules model.f90 descriptor/cutoffs.f90 descriptor/gaussian.f90 descriptor/zernike.f90 model/neuralnetwork.f90 running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "fmodules" sources f2py options: [] f2py:> /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c creating /tmp/tmpus1smkk8/src.linux-x86_64-3.10 rmbadname1: Replacing "index" with "index_bn". Reading fortran codes... Reading file 'model.f90' (format:fix) Line #99 in model.f90:" type:: image_forces " analyzeline: No name/args pattern found for line. Line #104 in model.f90:" type:: integer_one_d_array " analyzeline: No name/args pattern found for line. Line #109 in model.f90:" type:: embedded_real_one_one_d_array " analyzeline: No name/args pattern found for line. Line #114 in model.f90:" type:: embedded_real_one_two_d_array " analyzeline: No name/args pattern found for line. Line #119 in model.f90:" type:: embedded_integer_one_one_d_array " analyzeline: No name/args pattern found for line. Line #124 in model.f90:" type:: embedded_one_one_two_d_array " analyzeline: No name/args pattern found for line. Reading file 'descriptor/cutoffs.f90' (format:fix) Reading file 'descriptor/gaussian.f90' (format:free) Reading file 'descriptor/zernike.f90' (format:free) Reading file 'model/neuralnetwork.f90' (format:fix) Line #17 in model/neuralnetwork.f90:" type:: real_two_d_array " analyzeline: No name/args pattern found for line. Line #22 in model/neuralnetwork.f90:" type:: element_parameters " analyzeline: No name/args pattern found for line. Line #29 in model/neuralnetwork.f90:" type:: real_one_d_array " analyzeline: No name/args pattern found for line. Post-processing... Block: fmodules Block: check_version Block: fingerprint_props Block: model_props Block: images_props {} In: :fmodules:model.f90:calculate_loss:calculate_energy vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_forces vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_numerical_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_dforces_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_numerical_dforces_dparameters vars2fortran: No typespec for argument "image_no". Block: calculate_loss In: :fmodules:model.f90:calculate_loss get_useparameters: no module neuralnetwork info used by calculate_loss Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: deallocate_variables In: :fmodules:model.f90:deallocate_variables get_useparameters: no module neuralnetwork info used by deallocate_variables Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_g2 Block: calculate_g4 Block: calculate_g2_prime Block: calculate_g4_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Post-processing (stage 2)... Block: fmodules Block: unknown_interface Block: check_version Block: fingerprint_props Block: model_props Block: images_props Block: calculate_loss Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: deallocate_variables Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_g2 Block: calculate_g4 Block: calculate_g2_prime Block: calculate_g4_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Building modules... Building module "fmodules"... Constructing wrapper function "check_version"... warning = check_version(version) Constructing wrapper function "calculate_loss"... loss,dloss_dparameters,energyloss,forceloss,energy_maxresid,force_maxresid = calculate_loss(parameters,lossprime,[num_parameters]) Constructing wrapper function "deallocate_variables"... deallocate_variables() Constructing wrapper function "calculate_g2"... ridge = calculate_g2(neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g4"... ridge = calculate_g4(neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g2_prime"... ridge = calculate_g2_prime(neighborindices,neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_g4_prime"... ridge = calculate_g4_prime(neighborindices,neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_zernike_prime"... norm_prime = calculate_zernike_prime(n,l,n_indices,numbers,rs,g_numbers,cutoff,indexx,home,p,q,factorial,cutofffn,[n_length,fac_length,p_gamma]) Constructing wrapper function "calculate_z"... output = calculate_z(n,l,m,x,y,z,factorial,[length]) Constructing wrapper function "calculate_z_prime"... output = calculate_z_prime(n,l,m,x,y,z,p,factorial,[length]) Constructing wrapper function "calculate_q"... output = calculate_q(nu,k,l,factorial,[length]) Constructing wrapper function "binomial"... output = binomial(n,k,factorial,[length]) Constructing F90 module support for "fingerprint_props"... Variables: num_fingerprints_of_elements raveled_fingerprints raveled_fingerprintprimes getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Constructing F90 module support for "model_props"... Variables: mode_signal train_forces energy_coefficient force_coefficient overfit numericprime d Constructing F90 module support for "images_props"... Variables: num_images num_elements elements_numbers num_images_atoms atomic_numbers num_neighbors raveled_neighborlists actual_energies actual_forces num_atoms atomic_positions getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Constructing F90 module support for "cutoffs"... Creating wrapper for Fortran function "cutoff_fxn"("cutoff_fxn")... Constructing wrapper function "cutoffs.cutoff_fxn"... cutoff_fxn = cutoff_fxn(r,rc,cutofffn,[p_gamma]) Creating wrapper for Fortran function "cutoff_fxn_prime"("cutoff_fxn_prime")... Constructing wrapper function "cutoffs.cutoff_fxn_prime"... cutoff_fxn_prime = cutoff_fxn_prime(r,rc,cutofffn,[p_gamma]) Constructing F90 module support for "neuralnetwork"... Variables: min_fingerprints max_fingerprints no_layers_of_elements no_nodes_of_elements activation_signal getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type Creating wrapper for Fortran function "calculate_image_energy"("calculate_image_energy")... Constructing wrapper function "neuralnetwork.calculate_image_energy"... calculate_image_energy = calculate_image_energy(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_atomic_energy"("calculate_atomic_energy")... Constructing wrapper function "neuralnetwork.calculate_atomic_energy"... calculate_atomic_energy = calculate_atomic_energy(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_force_"("calculate_force_")... Constructing wrapper function "neuralnetwork.calculate_force_"... calculate_force_ = calculate_force_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_force"("calculate_force")... Constructing wrapper function "neuralnetwork.calculate_force"... calculate_force = calculate_force(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_denergy_dparameters_"("calculate_denergy_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_denergy_dparameters_"... calculate_denergy_dparameters_ = calculate_denergy_dparameters_(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_datomicenergy_dparameters"("calculate_datomicenergy_dparameters")... Constructing wrapper function "neuralnetwork.calculate_datomicenergy_dparameters"... calculate_datomicenergy_dparameters = calculate_datomicenergy_dparameters(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters_"("calculate_dforce_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters_"... calculate_dforce_dparameters_ = calculate_dforce_dparameters_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters"("calculate_dforce_dparameters")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters"... calculate_dforce_dparameters = calculate_dforce_dparameters(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Wrote C/API module "fmodules" to file "/tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c" Fortran 90 wrappers are saved to "/tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90" adding '/tmp/tmpus1smkk8/src.linux-x86_64-3.10/fortranobject.c' to sources. adding '/tmp/tmpus1smkk8/src.linux-x86_64-3.10' to include_dirs. copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.c -> /tmp/tmpus1smkk8/src.linux-x86_64-3.10 copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.h -> /tmp/tmpus1smkk8/src.linux-x86_64-3.10 adding '/tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_ext customize UnixCCompiler customize UnixCCompiler using build_ext get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'nv', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor', 'fujitsu']' customize Gnu95FCompiler Found executable /usr/bin/gfortran customize Gnu95FCompiler customize Gnu95FCompiler using build_ext building 'fmodules' extension compiling C sources C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC creating /tmp/tmpus1smkk8/tmp creating /tmp/tmpus1smkk8/tmp/tmpus1smkk8 creating /tmp/tmpus1smkk8/tmp/tmpus1smkk8/src.linux-x86_64-3.10 compile options: '-DNPY_DISABLE_OPTIMIZATION=1 -I/tmp/tmpus1smkk8/src.linux-x86_64-3.10 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.10 -c' x86_64-linux-gnu-gcc: /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c x86_64-linux-gnu-gcc: /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fortranobject.c In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fortranobject.h:13, from /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fortranobject.c:2: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fortranobject.h:13, from /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:16: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c: In function ‘f2py_setup_fingerprint_props’: /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4009:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4009 | f2py_fingerprint_props_def[i_f2py++].func = num_fingerprints_of_elements; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4010:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4010 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprints; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4011:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4011 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprintprimes; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c: In function ‘f2py_setup_images_props’: /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4065:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4065 | f2py_images_props_def[i_f2py++].func = elements_numbers; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4066:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4066 | f2py_images_props_def[i_f2py++].func = num_images_atoms; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4067:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4067 | f2py_images_props_def[i_f2py++].func = atomic_numbers; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4068:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4068 | f2py_images_props_def[i_f2py++].func = num_neighbors; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4069:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4069 | f2py_images_props_def[i_f2py++].func = raveled_neighborlists; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4070:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4070 | f2py_images_props_def[i_f2py++].func = actual_energies; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4071:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4071 | f2py_images_props_def[i_f2py++].func = actual_forces; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4073:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4073 | f2py_images_props_def[i_f2py++].func = atomic_positions; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c: In function ‘f2py_setup_neuralnetwork’: /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4117:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4117 | f2py_neuralnetwork_def[i_f2py++].func = min_fingerprints; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4118:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4118 | f2py_neuralnetwork_def[i_f2py++].func = max_fingerprints; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4119:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4119 | f2py_neuralnetwork_def[i_f2py++].func = no_layers_of_elements; | ^ /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:4120:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4120 | f2py_neuralnetwork_def[i_f2py++].func = no_nodes_of_elements; | ^ At top level: /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.c:144:12: warning: ‘f2py_size’ defined but not used [-Wunused-function] 144 | static int f2py_size(PyArrayObject* var, ...) | ^~~~~~~~~ compiling Fortran 90 module sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops creating /tmp/tmpus1smkk8/descriptor creating /tmp/tmpus1smkk8/model compile options: '-I/tmp/tmpus1smkk8/src.linux-x86_64-3.10 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.10 -c' extra options: '-J/tmp/tmpus1smkk8/ -I/tmp/tmpus1smkk8/' gfortran:f90: model.f90 model.f90:219:2: 219 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:220:2: 220 | denergy_dparameters(j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:221:2: 221 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:269:2: 269 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:270:2: 270 | allocate(dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:271:2: 271 | selfindex)%twodarray(3, num_parameters)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:272:2: 272 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:273:2: 273 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:274:2: 274 | dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:275:2: 275 | selfindex)%twodarray(i, j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:276:2: 276 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:277:2: 277 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:278:2: 278 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:300:2: 300 | do p = 1, size(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:301:2: 301 | deallocate(dforces_dparameters(p)%twodarray) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:302:2: 302 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:303:2: 303 | deallocate(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:323:2: 323 | doverfitloss_dparameters(j) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:646:2: 646 | allocate(fplus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:647:2: 647 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:648:2: 648 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:649:2: 649 | fplus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:650:2: 650 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:651:2: 651 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:655:2: 655 | allocate(fminus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:656:2: 656 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:657:2: 657 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:658:2: 658 | fminus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:659:2: 659 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:660:2: 660 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] gfortran:f90: descriptor/cutoffs.f90 gfortran:f90: model/neuralnetwork.f90 model/neuralnetwork.f90:1379:2: 1379 | unraveled_dforce_dweights(layer)%twodarray(p, q) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1380:2: 1380 | -1.0d0 * unraveled_dforce_dweights(layer)%twodarray(p, q) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1767:2: 1767 | unraveled_dforce_dparameters(element)%slope = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1768:2: 1768 | -1.0d0 * unraveled_dforce_dparameters(element)%slope | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1802:2: 1802 | unraveled_dforce_dparameters(element)%weights(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] compiling Fortran sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops compile options: '-I/tmp/tmpus1smkk8/src.linux-x86_64-3.10 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.10 -c' extra options: '-J/tmp/tmpus1smkk8/ -I/tmp/tmpus1smkk8/' gfortran:f90: descriptor/gaussian.f90 gfortran:f90: descriptor/zernike.f90 gfortran:f90: /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90 /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:407:44: 407 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, r, rc,& | 1 ...... 431 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, cutoff& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:417:50: 417 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 1 ...... 440 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:591:63: 591 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 1 ...... 722 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 2 Warning: Type mismatch in argument 'calculate_atomic_energy' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:652:9: 652 | &ers (calculate_datomicenergy_dparametersf2pywrap, symbol, len_of_f& | 1 ...... 775 | &ers (calculate_datomicenergy_dparametersf2pywrap, calculate_datomi& | 2 Warning: Type mismatch in argument 'calculate_datomicenergy_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:637:70: 637 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 1 ...... 762 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 2 Warning: Type mismatch in argument 'calculate_denergy_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:685:68: 685 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 1 ...... 804 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:670:69: 670 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 1 ...... 791 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:620:55: 620 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 1 ...... 747 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 2 Warning: Type mismatch in argument 'calculate_force' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:607:56: 607 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 1 ...... 736 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 2 Warning: Type mismatch in argument 'calculate_force_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:579:62: 579 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 1 ...... 712 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 2 Warning: Type mismatch in argument 'calculate_image_energy' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘num_fingerprints_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprintprimes’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_energies’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_forces’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_numbers’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_positions’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘elements_numbers’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_images_atoms’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_neighbors’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘raveled_neighborlists’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘max_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘min_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_layers_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_nodes_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /usr/bin/gfortran -Wall -g -Wall -g -shared -Wl,-z,relro -Wl,-z,now -shared /tmp/tmpus1smkk8/tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodulesmodule.o /tmp/tmpus1smkk8/tmp/tmpus1smkk8/src.linux-x86_64-3.10/fortranobject.o /tmp/tmpus1smkk8/model.o /tmp/tmpus1smkk8/descriptor/cutoffs.o /tmp/tmpus1smkk8/model/neuralnetwork.o /tmp/tmpus1smkk8/descriptor/gaussian.o /tmp/tmpus1smkk8/descriptor/zernike.o /tmp/tmpus1smkk8/tmp/tmpus1smkk8/src.linux-x86_64-3.10/fmodules-f2pywrappers2.o -L/usr/lib/gcc/x86_64-linux-gnu/11 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -o ./fmodules.cpython-310-x86_64-linux-gnu.so Removing build directory /tmp/tmpus1smkk8 Building for python3.9 (3.9) make -C model make[2]: Entering directory '/build/amp-8HGaLP/amp-0.6.1/amp/model' make[2]: 'neuralnetwork.mod' is up to date. make[2]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1/amp/model' make -C descriptor make[2]: Entering directory '/build/amp-8HGaLP/amp-0.6.1/amp/descriptor' make[2]: 'cutoffs.mod' is up to date. make[2]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1/amp/descriptor' f2py3.9 -c -m fmodules model.f90 descriptor/cutoffs.f90 descriptor/gaussian.f90 descriptor/zernike.f90 model/neuralnetwork.f90 running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "fmodules" sources f2py options: [] f2py:> /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c creating /tmp/tmpew6a4k1g/src.linux-x86_64-3.9 rmbadname1: Replacing "index" with "index_bn". Reading fortran codes... Reading file 'model.f90' (format:fix) Line #99 in model.f90:" type:: image_forces " analyzeline: No name/args pattern found for line. Line #104 in model.f90:" type:: integer_one_d_array " analyzeline: No name/args pattern found for line. Line #109 in model.f90:" type:: embedded_real_one_one_d_array " analyzeline: No name/args pattern found for line. Line #114 in model.f90:" type:: embedded_real_one_two_d_array " analyzeline: No name/args pattern found for line. Line #119 in model.f90:" type:: embedded_integer_one_one_d_array " analyzeline: No name/args pattern found for line. Line #124 in model.f90:" type:: embedded_one_one_two_d_array " analyzeline: No name/args pattern found for line. Reading file 'descriptor/cutoffs.f90' (format:fix) Reading file 'descriptor/gaussian.f90' (format:free) Reading file 'descriptor/zernike.f90' (format:free) Reading file 'model/neuralnetwork.f90' (format:fix) Line #17 in model/neuralnetwork.f90:" type:: real_two_d_array " analyzeline: No name/args pattern found for line. Line #22 in model/neuralnetwork.f90:" type:: element_parameters " analyzeline: No name/args pattern found for line. Line #29 in model/neuralnetwork.f90:" type:: real_one_d_array " analyzeline: No name/args pattern found for line. Post-processing... Block: fmodules Block: check_version Block: fingerprint_props Block: model_props Block: images_props {} In: :fmodules:model.f90:calculate_loss:calculate_energy vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_forces vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_numerical_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_dforces_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_numerical_dforces_dparameters vars2fortran: No typespec for argument "image_no". Block: calculate_loss In: :fmodules:model.f90:calculate_loss get_useparameters: no module neuralnetwork info used by calculate_loss Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: deallocate_variables In: :fmodules:model.f90:deallocate_variables get_useparameters: no module neuralnetwork info used by deallocate_variables Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_g2 Block: calculate_g4 Block: calculate_g2_prime Block: calculate_g4_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Post-processing (stage 2)... Block: fmodules Block: unknown_interface Block: check_version Block: fingerprint_props Block: model_props Block: images_props Block: calculate_loss Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: deallocate_variables Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_g2 Block: calculate_g4 Block: calculate_g2_prime Block: calculate_g4_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Building modules... Building module "fmodules"... Constructing wrapper function "check_version"... warning = check_version(version) Constructing wrapper function "calculate_loss"... loss,dloss_dparameters,energyloss,forceloss,energy_maxresid,force_maxresid = calculate_loss(parameters,lossprime,[num_parameters]) Constructing wrapper function "deallocate_variables"... deallocate_variables() Constructing wrapper function "calculate_g2"... ridge = calculate_g2(neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g4"... ridge = calculate_g4(neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g2_prime"... ridge = calculate_g2_prime(neighborindices,neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_g4_prime"... ridge = calculate_g4_prime(neighborindices,neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_zernike_prime"... norm_prime = calculate_zernike_prime(n,l,n_indices,numbers,rs,g_numbers,cutoff,indexx,home,p,q,factorial,cutofffn,[n_length,fac_length,p_gamma]) Constructing wrapper function "calculate_z"... output = calculate_z(n,l,m,x,y,z,factorial,[length]) Constructing wrapper function "calculate_z_prime"... output = calculate_z_prime(n,l,m,x,y,z,p,factorial,[length]) Constructing wrapper function "calculate_q"... output = calculate_q(nu,k,l,factorial,[length]) Constructing wrapper function "binomial"... output = binomial(n,k,factorial,[length]) Constructing F90 module support for "fingerprint_props"... Variables: num_fingerprints_of_elements raveled_fingerprints raveled_fingerprintprimes getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Constructing F90 module support for "model_props"... Variables: mode_signal train_forces energy_coefficient force_coefficient overfit numericprime d Constructing F90 module support for "images_props"... Variables: num_images num_elements elements_numbers num_images_atoms atomic_numbers num_neighbors raveled_neighborlists actual_energies actual_forces num_atoms atomic_positions getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Constructing F90 module support for "cutoffs"... Creating wrapper for Fortran function "cutoff_fxn"("cutoff_fxn")... Constructing wrapper function "cutoffs.cutoff_fxn"... cutoff_fxn = cutoff_fxn(r,rc,cutofffn,[p_gamma]) Creating wrapper for Fortran function "cutoff_fxn_prime"("cutoff_fxn_prime")... Constructing wrapper function "cutoffs.cutoff_fxn_prime"... cutoff_fxn_prime = cutoff_fxn_prime(r,rc,cutofffn,[p_gamma]) Constructing F90 module support for "neuralnetwork"... Variables: min_fingerprints max_fingerprints no_layers_of_elements no_nodes_of_elements activation_signal getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type Creating wrapper for Fortran function "calculate_image_energy"("calculate_image_energy")... Constructing wrapper function "neuralnetwork.calculate_image_energy"... calculate_image_energy = calculate_image_energy(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_atomic_energy"("calculate_atomic_energy")... Constructing wrapper function "neuralnetwork.calculate_atomic_energy"... calculate_atomic_energy = calculate_atomic_energy(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_force_"("calculate_force_")... Constructing wrapper function "neuralnetwork.calculate_force_"... calculate_force_ = calculate_force_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_force"("calculate_force")... Constructing wrapper function "neuralnetwork.calculate_force"... calculate_force = calculate_force(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_denergy_dparameters_"("calculate_denergy_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_denergy_dparameters_"... calculate_denergy_dparameters_ = calculate_denergy_dparameters_(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_datomicenergy_dparameters"("calculate_datomicenergy_dparameters")... Constructing wrapper function "neuralnetwork.calculate_datomicenergy_dparameters"... calculate_datomicenergy_dparameters = calculate_datomicenergy_dparameters(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters_"("calculate_dforce_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters_"... calculate_dforce_dparameters_ = calculate_dforce_dparameters_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters"("calculate_dforce_dparameters")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters"... calculate_dforce_dparameters = calculate_dforce_dparameters(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Wrote C/API module "fmodules" to file "/tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c" Fortran 90 wrappers are saved to "/tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90" adding '/tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fortranobject.c' to sources. adding '/tmp/tmpew6a4k1g/src.linux-x86_64-3.9' to include_dirs. copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.c -> /tmp/tmpew6a4k1g/src.linux-x86_64-3.9 copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.h -> /tmp/tmpew6a4k1g/src.linux-x86_64-3.9 adding '/tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_ext customize UnixCCompiler customize UnixCCompiler using build_ext get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'nv', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor', 'fujitsu']' customize Gnu95FCompiler Found executable /usr/bin/gfortran customize Gnu95FCompiler customize Gnu95FCompiler using build_ext building 'fmodules' extension compiling C sources C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC creating /tmp/tmpew6a4k1g/tmp creating /tmp/tmpew6a4k1g/tmp/tmpew6a4k1g creating /tmp/tmpew6a4k1g/tmp/tmpew6a4k1g/src.linux-x86_64-3.9 compile options: '-DNPY_DISABLE_OPTIMIZATION=1 -I/tmp/tmpew6a4k1g/src.linux-x86_64-3.9 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.9 -c' x86_64-linux-gnu-gcc: /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c x86_64-linux-gnu-gcc: /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fortranobject.c In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fortranobject.h:13, from /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:16: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fortranobject.h:13, from /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fortranobject.c:2: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c: In function ‘f2py_setup_fingerprint_props’: /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4009:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4009 | f2py_fingerprint_props_def[i_f2py++].func = num_fingerprints_of_elements; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4010:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4010 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprints; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4011:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4011 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprintprimes; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c: In function ‘f2py_setup_images_props’: /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4065:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4065 | f2py_images_props_def[i_f2py++].func = elements_numbers; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4066:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4066 | f2py_images_props_def[i_f2py++].func = num_images_atoms; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4067:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4067 | f2py_images_props_def[i_f2py++].func = atomic_numbers; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4068:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4068 | f2py_images_props_def[i_f2py++].func = num_neighbors; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4069:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4069 | f2py_images_props_def[i_f2py++].func = raveled_neighborlists; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4070:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4070 | f2py_images_props_def[i_f2py++].func = actual_energies; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4071:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4071 | f2py_images_props_def[i_f2py++].func = actual_forces; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4073:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4073 | f2py_images_props_def[i_f2py++].func = atomic_positions; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c: In function ‘f2py_setup_neuralnetwork’: /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4117:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4117 | f2py_neuralnetwork_def[i_f2py++].func = min_fingerprints; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4118:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4118 | f2py_neuralnetwork_def[i_f2py++].func = max_fingerprints; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4119:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4119 | f2py_neuralnetwork_def[i_f2py++].func = no_layers_of_elements; | ^ /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:4120:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4120 | f2py_neuralnetwork_def[i_f2py++].func = no_nodes_of_elements; | ^ At top level: /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.c:144:12: warning: ‘f2py_size’ defined but not used [-Wunused-function] 144 | static int f2py_size(PyArrayObject* var, ...) | ^~~~~~~~~ compiling Fortran 90 module sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops creating /tmp/tmpew6a4k1g/descriptor creating /tmp/tmpew6a4k1g/model compile options: '-I/tmp/tmpew6a4k1g/src.linux-x86_64-3.9 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.9 -c' extra options: '-J/tmp/tmpew6a4k1g/ -I/tmp/tmpew6a4k1g/' gfortran:f90: model.f90 model.f90:219:2: 219 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:220:2: 220 | denergy_dparameters(j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:221:2: 221 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:269:2: 269 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:270:2: 270 | allocate(dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:271:2: 271 | selfindex)%twodarray(3, num_parameters)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:272:2: 272 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:273:2: 273 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:274:2: 274 | dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:275:2: 275 | selfindex)%twodarray(i, j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:276:2: 276 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:277:2: 277 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:278:2: 278 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:300:2: 300 | do p = 1, size(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:301:2: 301 | deallocate(dforces_dparameters(p)%twodarray) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:302:2: 302 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:303:2: 303 | deallocate(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:323:2: 323 | doverfitloss_dparameters(j) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:646:2: 646 | allocate(fplus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:647:2: 647 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:648:2: 648 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:649:2: 649 | fplus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:650:2: 650 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:651:2: 651 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:655:2: 655 | allocate(fminus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:656:2: 656 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:657:2: 657 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:658:2: 658 | fminus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:659:2: 659 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:660:2: 660 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] gfortran:f90: descriptor/cutoffs.f90 gfortran:f90: model/neuralnetwork.f90 model/neuralnetwork.f90:1379:2: 1379 | unraveled_dforce_dweights(layer)%twodarray(p, q) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1380:2: 1380 | -1.0d0 * unraveled_dforce_dweights(layer)%twodarray(p, q) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1767:2: 1767 | unraveled_dforce_dparameters(element)%slope = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1768:2: 1768 | -1.0d0 * unraveled_dforce_dparameters(element)%slope | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1802:2: 1802 | unraveled_dforce_dparameters(element)%weights(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] compiling Fortran sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops compile options: '-I/tmp/tmpew6a4k1g/src.linux-x86_64-3.9 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.9 -c' extra options: '-J/tmp/tmpew6a4k1g/ -I/tmp/tmpew6a4k1g/' gfortran:f90: descriptor/gaussian.f90 gfortran:f90: descriptor/zernike.f90 gfortran:f90: /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90 /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:407:44: 407 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, r, rc,& | 1 ...... 431 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, cutoff& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:417:50: 417 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 1 ...... 440 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:591:63: 591 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 1 ...... 722 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 2 Warning: Type mismatch in argument 'calculate_atomic_energy' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:652:9: 652 | &ers (calculate_datomicenergy_dparametersf2pywrap, symbol, len_of_f& | 1 ...... 775 | &ers (calculate_datomicenergy_dparametersf2pywrap, calculate_datomi& | 2 Warning: Type mismatch in argument 'calculate_datomicenergy_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:637:70: 637 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 1 ...... 762 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 2 Warning: Type mismatch in argument 'calculate_denergy_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:685:68: 685 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 1 ...... 804 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:670:69: 670 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 1 ...... 791 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:620:55: 620 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 1 ...... 747 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 2 Warning: Type mismatch in argument 'calculate_force' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:607:56: 607 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 1 ...... 736 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 2 Warning: Type mismatch in argument 'calculate_force_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:579:62: 579 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 1 ...... 712 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 2 Warning: Type mismatch in argument 'calculate_image_energy' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘num_fingerprints_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprintprimes’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_energies’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_forces’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_numbers’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_positions’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘elements_numbers’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_images_atoms’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_neighbors’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘raveled_neighborlists’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘max_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘min_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_layers_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_nodes_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /usr/bin/gfortran -Wall -g -Wall -g -shared -Wl,-z,relro -Wl,-z,now -shared /tmp/tmpew6a4k1g/tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodulesmodule.o /tmp/tmpew6a4k1g/tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fortranobject.o /tmp/tmpew6a4k1g/model.o /tmp/tmpew6a4k1g/descriptor/cutoffs.o /tmp/tmpew6a4k1g/model/neuralnetwork.o /tmp/tmpew6a4k1g/descriptor/gaussian.o /tmp/tmpew6a4k1g/descriptor/zernike.o /tmp/tmpew6a4k1g/tmp/tmpew6a4k1g/src.linux-x86_64-3.9/fmodules-f2pywrappers2.o -L/usr/lib/gcc/x86_64-linux-gnu/11 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -o ./fmodules.cpython-39-x86_64-linux-gnu.so Removing build directory /tmp/tmpew6a4k1g make[1]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1/amp' I: pybuild base:237: /usr/bin/python3.10 setup.py build /usr/lib/python3.10/distutils/dist.py:274: UserWarning: Unknown distribution option: 'install_requires' warnings.warn(msg) running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "amp.fmodules" sources f2py options: [] f2py:> build/src.linux-x86_64-3.10/amp/fmodulesmodule.c creating build creating build/src.linux-x86_64-3.10 creating build/src.linux-x86_64-3.10/amp rmbadname1: Replacing "index" with "index_bn". Reading fortran codes... Reading file 'amp/model/neuralnetwork.f90' (format:fix) Line #17 in amp/model/neuralnetwork.f90:" type:: real_two_d_array " analyzeline: No name/args pattern found for line. Line #22 in amp/model/neuralnetwork.f90:" type:: element_parameters " analyzeline: No name/args pattern found for line. Line #29 in amp/model/neuralnetwork.f90:" type:: real_one_d_array " analyzeline: No name/args pattern found for line. Reading file 'amp/descriptor/gaussian.f90' (format:free) Reading file 'amp/descriptor/cutoffs.f90' (format:fix) Reading file 'amp/descriptor/zernike.f90' (format:free) Reading file 'amp/model.f90' (format:fix) Line #99 in amp/model.f90:" type:: image_forces " analyzeline: No name/args pattern found for line. Line #104 in amp/model.f90:" type:: integer_one_d_array " analyzeline: No name/args pattern found for line. Line #109 in amp/model.f90:" type:: embedded_real_one_one_d_array " analyzeline: No name/args pattern found for line. Line #114 in amp/model.f90:" type:: embedded_real_one_two_d_array " analyzeline: No name/args pattern found for line. Line #119 in amp/model.f90:" type:: embedded_integer_one_one_d_array " analyzeline: No name/args pattern found for line. Line #124 in amp/model.f90:" type:: embedded_one_one_two_d_array " analyzeline: No name/args pattern found for line. Post-processing... Block: fmodules Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Block: calculate_g2 In: :fmodules:amp/descriptor/gaussian.f90:calculate_g2 get_useparameters: no module cutoffs info used by calculate_g2 Block: calculate_g4 In: :fmodules:amp/descriptor/gaussian.f90:calculate_g4 get_useparameters: no module cutoffs info used by calculate_g4 Block: calculate_g2_prime In: :fmodules:amp/descriptor/gaussian.f90:calculate_g2_prime get_useparameters: no module cutoffs info used by calculate_g2_prime Block: calculate_g4_prime In: :fmodules:amp/descriptor/gaussian.f90:calculate_g4_prime get_useparameters: no module cutoffs info used by calculate_g4_prime Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: check_version Block: fingerprint_props Block: model_props Block: images_props {} In: :fmodules:amp/model.f90:calculate_loss:calculate_energy vars2fortran: No typespec for argument "image_no". {} In: :fmodules:amp/model.f90:calculate_loss:calculate_forces vars2fortran: No typespec for argument "image_no". {} In: :fmodules:amp/model.f90:calculate_loss:calculate_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:amp/model.f90:calculate_loss:calculate_numerical_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:amp/model.f90:calculate_loss:calculate_dforces_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:amp/model.f90:calculate_loss:calculate_numerical_dforces_dparameters vars2fortran: No typespec for argument "image_no". Block: calculate_loss Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: deallocate_variables Post-processing (stage 2)... Block: fmodules Block: unknown_interface Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Block: calculate_g2 Block: calculate_g4 Block: calculate_g2_prime Block: calculate_g4_prime Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: check_version Block: fingerprint_props Block: model_props Block: images_props Block: calculate_loss Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: deallocate_variables Building modules... Building module "fmodules"... Constructing wrapper function "calculate_g2"... ridge = calculate_g2(neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g4"... ridge = calculate_g4(neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g2_prime"... ridge = calculate_g2_prime(neighborindices,neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_g4_prime"... ridge = calculate_g4_prime(neighborindices,neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_zernike_prime"... norm_prime = calculate_zernike_prime(n,l,n_indices,numbers,rs,g_numbers,cutoff,indexx,home,p,q,factorial,cutofffn,[n_length,fac_length,p_gamma]) Constructing wrapper function "calculate_z"... output = calculate_z(n,l,m,x,y,z,factorial,[length]) Constructing wrapper function "calculate_z_prime"... output = calculate_z_prime(n,l,m,x,y,z,p,factorial,[length]) Constructing wrapper function "calculate_q"... output = calculate_q(nu,k,l,factorial,[length]) Constructing wrapper function "binomial"... output = binomial(n,k,factorial,[length]) Constructing wrapper function "check_version"... warning = check_version(version) Constructing wrapper function "calculate_loss"... loss,dloss_dparameters,energyloss,forceloss,energy_maxresid,force_maxresid = calculate_loss(parameters,lossprime,[num_parameters]) Constructing wrapper function "deallocate_variables"... deallocate_variables() Constructing F90 module support for "neuralnetwork"... Variables: min_fingerprints max_fingerprints no_layers_of_elements no_nodes_of_elements activation_signal getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type Creating wrapper for Fortran function "calculate_image_energy"("calculate_image_energy")... Constructing wrapper function "neuralnetwork.calculate_image_energy"... calculate_image_energy = calculate_image_energy(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_atomic_energy"("calculate_atomic_energy")... Constructing wrapper function "neuralnetwork.calculate_atomic_energy"... calculate_atomic_energy = calculate_atomic_energy(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_force_"("calculate_force_")... Constructing wrapper function "neuralnetwork.calculate_force_"... calculate_force_ = calculate_force_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_force"("calculate_force")... Constructing wrapper function "neuralnetwork.calculate_force"... calculate_force = calculate_force(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_denergy_dparameters_"("calculate_denergy_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_denergy_dparameters_"... calculate_denergy_dparameters_ = calculate_denergy_dparameters_(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_datomicenergy_dparameters"("calculate_datomicenergy_dparameters")... Constructing wrapper function "neuralnetwork.calculate_datomicenergy_dparameters"... calculate_datomicenergy_dparameters = calculate_datomicenergy_dparameters(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters_"("calculate_dforce_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters_"... calculate_dforce_dparameters_ = calculate_dforce_dparameters_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters"("calculate_dforce_dparameters")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters"... calculate_dforce_dparameters = calculate_dforce_dparameters(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Constructing F90 module support for "cutoffs"... Creating wrapper for Fortran function "cutoff_fxn"("cutoff_fxn")... Constructing wrapper function "cutoffs.cutoff_fxn"... cutoff_fxn = cutoff_fxn(r,rc,cutofffn,[p_gamma]) Creating wrapper for Fortran function "cutoff_fxn_prime"("cutoff_fxn_prime")... Constructing wrapper function "cutoffs.cutoff_fxn_prime"... cutoff_fxn_prime = cutoff_fxn_prime(r,rc,cutofffn,[p_gamma]) Constructing F90 module support for "fingerprint_props"... Variables: num_fingerprints_of_elements raveled_fingerprints raveled_fingerprintprimes getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Constructing F90 module support for "model_props"... Variables: mode_signal train_forces energy_coefficient force_coefficient overfit numericprime d Constructing F90 module support for "images_props"... Variables: num_images num_elements elements_numbers num_images_atoms atomic_numbers num_neighbors raveled_neighborlists actual_energies actual_forces num_atoms atomic_positions getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Wrote C/API module "fmodules" to file "build/src.linux-x86_64-3.10/amp/fmodulesmodule.c" Fortran 90 wrappers are saved to "build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90" adding 'build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp' to include_dirs. creating build/src.linux-x86_64-3.10/build creating build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10 creating build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.c -> build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.h -> build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp adding 'build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_py creating /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp copying amp/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp copying amp/analysis.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp copying amp/utilities.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp creating /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor copying amp/descriptor/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor copying amp/descriptor/analysis.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor copying amp/descriptor/bispectrum.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor copying amp/descriptor/cutoffs.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor copying amp/descriptor/example.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor copying amp/descriptor/gaussian.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor copying amp/descriptor/zernike.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor creating /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/regression copying amp/regression/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/regression creating /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/model copying amp/model/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/model copying amp/model/__main__.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/model copying amp/model/neuralnetwork.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/model copying amp/model/tflow.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/model copying amp/VERSION -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp running build_ext customize UnixCCompiler customize UnixCCompiler using build_ext CCompilerOpt.cc_test_flags[1013] : testing flags (-march=native) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC creating /tmp/tmpl3m9dmu6/usr creating /tmp/tmpl3m9dmu6/usr/lib creating /tmp/tmpl3m9dmu6/usr/lib/python3 creating /tmp/tmpl3m9dmu6/usr/lib/python3/dist-packages creating /tmp/tmpl3m9dmu6/usr/lib/python3/dist-packages/numpy creating /tmp/tmpl3m9dmu6/usr/lib/python3/dist-packages/numpy/distutils creating /tmp/tmpl3m9dmu6/usr/lib/python3/dist-packages/numpy/distutils/checks compile options: '-I/usr/include/python3.10 -c' extra options: '-march=native' CCompilerOpt.cc_test_flags[1013] : testing flags (-O3) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-O3' CCompilerOpt.cc_test_flags[1013] : testing flags (-Werror) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-Werror' CCompilerOpt.__init__[1701] : check requested baseline CCompilerOpt.cc_test_flags[1013] : testing flags (-msse) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse' CCompilerOpt.cc_test_flags[1013] : testing flags (-msse2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse2' CCompilerOpt.feature_test[1466] : testing feature 'SSE' with flags (-msse -msse2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -Werror' CCompilerOpt.feature_test[1466] : testing feature 'SSE2' with flags (-msse -msse2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-msse3) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse3' CCompilerOpt.feature_test[1466] : testing feature 'SSE3' with flags (-msse -msse2 -msse3) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -Werror' CCompilerOpt.__init__[1710] : check requested dispatch-able features CCompilerOpt.cc_test_flags[1013] : testing flags (-mssse3) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mssse3' CCompilerOpt.cc_test_flags[1013] : testing flags (-msse4.1) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse4.1' CCompilerOpt.cc_test_flags[1013] : testing flags (-mpopcnt) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mpopcnt' CCompilerOpt.cc_test_flags[1013] : testing flags (-msse4.2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse4.2' CCompilerOpt.feature_test[1466] : testing feature 'SSE42' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -Werror' CCompilerOpt.feature_test[1466] : testing feature 'POPCNT' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -Werror' CCompilerOpt.feature_test[1466] : testing feature 'SSSE3' with flags (-msse -msse2 -msse3 -mssse3) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -Werror' CCompilerOpt.feature_test[1466] : testing feature 'SSE41' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mavx' CCompilerOpt.feature_test[1466] : testing feature 'AVX' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mf16c) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mf16c' CCompilerOpt.feature_test[1466] : testing feature 'F16C' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mfma) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mfma' CCompilerOpt.feature_test[1466] : testing feature 'FMA3' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mavx2' CCompilerOpt.feature_test[1466] : testing feature 'AVX2' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mavx2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mavx2 -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512f) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mavx512f' CCompilerOpt.feature_test[1466] : testing feature 'AVX512F' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512cd) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mavx512cd' CCompilerOpt.feature_test[1466] : testing feature 'AVX512CD' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512vl -mavx512bw -mavx512dq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mavx512vl -mavx512bw -mavx512dq' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_SKX' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512vnni) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mavx512vnni' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_CLX' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512vnni) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512vnni -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512er -mavx512pf) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mavx512er -mavx512pf' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_KNL' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512er -mavx512pf) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512er -mavx512pf -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx5124fmaps -mavx5124vnniw -mavx512vpopcntdq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mavx5124fmaps -mavx5124vnniw -mavx512vpopcntdq' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_KNM' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512er -mavx512pf -mavx5124fmaps -mavx5124vnniw -mavx512vpopcntdq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512er -mavx512pf -mavx5124fmaps -mavx5124vnniw -mavx512vpopcntdq -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512ifma -mavx512vbmi) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mavx512ifma -mavx512vbmi' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_CNL' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512ifma -mavx512vbmi) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512ifma -mavx512vbmi -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512vbmi2 -mavx512bitalg -mavx512vpopcntdq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-mavx512vbmi2 -mavx512bitalg -mavx512vpopcntdq' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_ICL' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512vnni -mavx512ifma -mavx512vbmi -mavx512vbmi2 -mavx512bitalg -mavx512vpopcntdq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512vnni -mavx512ifma -mavx512vbmi -mavx512vbmi2 -mavx512bitalg -mavx512vpopcntdq -Werror' CCompilerOpt.__init__[1722] : skip features (SSE3 SSE SSE2) since its part of baseline CCompilerOpt.__init__[1726] : initialize targets groups CCompilerOpt.__init__[1728] : parse target group simd_test CCompilerOpt._parse_target_tokens[1939] : skip targets (VSX2 VSX3 NEON XOP VSX ASIMD FMA4) not part of baseline or dispatch-able features CCompilerOpt._parse_policy_not_keepbase[2051] : skip baseline features (SSE2) CCompilerOpt.generate_dispatch_header[2272] : generate CPU dispatch header: (build/src.linux-x86_64-3.10/numpy/distutils/include/npy_cpu_dispatch_config.h) CCompilerOpt.generate_dispatch_header[2281] : dispatch header dir build/src.linux-x86_64-3.10/numpy/distutils/include does not exist, creating it CCompilerOpt.feature_extra_checks[1546] : Testing extra checks for feature 'AVX512F' (AVX512F_REDUCE) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -Werror' CCompilerOpt.feature_extra_checks[1546] : Testing extra checks for feature 'AVX512_SKX' (AVX512BW_MASK AVX512DQ_MASK) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -Werror' C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -Werror' get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'nv', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor', 'fujitsu']' customize Gnu95FCompiler Found executable /usr/bin/gfortran customize Gnu95FCompiler customize Gnu95FCompiler using build_ext building 'amp.fmodules' extension compiling C sources C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC creating build/temp.linux-x86_64-3.10/build creating build/temp.linux-x86_64-3.10/build/src.linux-x86_64-3.10 creating build/temp.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp creating build/temp.linux-x86_64-3.10/build/src.linux-x86_64-3.10/build creating build/temp.linux-x86_64-3.10/build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10 creating build/temp.linux-x86_64-3.10/build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp compile options: '-Ibuild/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp -I/usr/lib/python3/dist-packages/numpy/core/include -Ibuild/src.linux-x86_64-3.10/numpy/distutils/include -I/usr/include/python3.10 -c' extra options: '-msse -msse2 -msse3' x86_64-linux-gnu-gcc: build/src.linux-x86_64-3.10/amp/fmodulesmodule.c x86_64-linux-gnu-gcc: build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp/fortranobject.c In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp/fortranobject.h:13, from build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:16: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp/fortranobject.h:13, from build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp/fortranobject.c:2: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c: In function ‘f2py_setup_neuralnetwork’: build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4019:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4019 | f2py_neuralnetwork_def[i_f2py++].func = min_fingerprints; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4020:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4020 | f2py_neuralnetwork_def[i_f2py++].func = max_fingerprints; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4021:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4021 | f2py_neuralnetwork_def[i_f2py++].func = no_layers_of_elements; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4022:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4022 | f2py_neuralnetwork_def[i_f2py++].func = no_nodes_of_elements; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c: In function ‘f2py_setup_fingerprint_props’: build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4065:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4065 | f2py_fingerprint_props_def[i_f2py++].func = num_fingerprints_of_elements; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4066:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4066 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprints; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4067:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4067 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprintprimes; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c: In function ‘f2py_setup_images_props’: build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4121:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4121 | f2py_images_props_def[i_f2py++].func = elements_numbers; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4122:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4122 | f2py_images_props_def[i_f2py++].func = num_images_atoms; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4123:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4123 | f2py_images_props_def[i_f2py++].func = atomic_numbers; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4124:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4124 | f2py_images_props_def[i_f2py++].func = num_neighbors; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4125:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4125 | f2py_images_props_def[i_f2py++].func = raveled_neighborlists; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4126:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4126 | f2py_images_props_def[i_f2py++].func = actual_energies; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4127:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4127 | f2py_images_props_def[i_f2py++].func = actual_forces; | ^ build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:4129:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4129 | f2py_images_props_def[i_f2py++].func = atomic_positions; | ^ At top level: build/src.linux-x86_64-3.10/amp/fmodulesmodule.c:144:12: warning: ‘f2py_size’ defined but not used [-Wunused-function] 144 | static int f2py_size(PyArrayObject* var, ...) | ^~~~~~~~~ compiling Fortran 90 module sources creating build/temp.linux-x86_64-3.10/amp Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops creating build/temp.linux-x86_64-3.10/amp/model creating build/temp.linux-x86_64-3.10/amp/descriptor compile options: '-Ibuild/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp -I/usr/lib/python3/dist-packages/numpy/core/include -Ibuild/src.linux-x86_64-3.10/numpy/distutils/include -I/usr/include/python3.10 -c' extra options: '-Jbuild/temp.linux-x86_64-3.10/amp -Ibuild/temp.linux-x86_64-3.10/amp' gfortran:f90: amp/model/neuralnetwork.f90 amp/model/neuralnetwork.f90:1379:2: 1379 | unraveled_dforce_dweights(layer)%twodarray(p, q) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model/neuralnetwork.f90:1380:2: 1380 | -1.0d0 * unraveled_dforce_dweights(layer)%twodarray(p, q) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model/neuralnetwork.f90:1767:2: 1767 | unraveled_dforce_dparameters(element)%slope = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model/neuralnetwork.f90:1768:2: 1768 | -1.0d0 * unraveled_dforce_dparameters(element)%slope | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model/neuralnetwork.f90:1802:2: 1802 | unraveled_dforce_dparameters(element)%weights(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] gfortran:f90: amp/descriptor/cutoffs.f90 gfortran:f90: amp/model.f90 amp/model.f90:219:2: 219 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:220:2: 220 | denergy_dparameters(j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:221:2: 221 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:269:2: 269 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:270:2: 270 | allocate(dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:271:2: 271 | selfindex)%twodarray(3, num_parameters)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:272:2: 272 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:273:2: 273 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:274:2: 274 | dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:275:2: 275 | selfindex)%twodarray(i, j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:276:2: 276 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:277:2: 277 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:278:2: 278 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:300:2: 300 | do p = 1, size(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:301:2: 301 | deallocate(dforces_dparameters(p)%twodarray) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:302:2: 302 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:303:2: 303 | deallocate(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:323:2: 323 | doverfitloss_dparameters(j) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:646:2: 646 | allocate(fplus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:647:2: 647 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:648:2: 648 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:649:2: 649 | fplus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:650:2: 650 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:651:2: 651 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:655:2: 655 | allocate(fminus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:656:2: 656 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:657:2: 657 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:658:2: 658 | fminus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:659:2: 659 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:660:2: 660 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] compiling Fortran sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops compile options: '-Ibuild/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp -I/usr/lib/python3/dist-packages/numpy/core/include -Ibuild/src.linux-x86_64-3.10/numpy/distutils/include -I/usr/include/python3.10 -c' extra options: '-Jbuild/temp.linux-x86_64-3.10/amp -Ibuild/temp.linux-x86_64-3.10/amp' gfortran:f90: amp/descriptor/gaussian.f90 gfortran:f90: amp/descriptor/zernike.f90 gfortran:f90: build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90 build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:141:63: 141 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 1 ...... 272 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 2 Warning: Type mismatch in argument 'calculate_atomic_energy' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:202:9: 202 | &ers (calculate_datomicenergy_dparametersf2pywrap, symbol, len_of_f& | 1 ...... 325 | &ers (calculate_datomicenergy_dparametersf2pywrap, calculate_datomi& | 2 Warning: Type mismatch in argument 'calculate_datomicenergy_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:187:70: 187 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 1 ...... 312 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 2 Warning: Type mismatch in argument 'calculate_denergy_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:235:68: 235 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 1 ...... 354 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:220:69: 220 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 1 ...... 341 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:170:55: 170 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 1 ...... 297 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 2 Warning: Type mismatch in argument 'calculate_force' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:157:56: 157 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 1 ...... 286 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 2 Warning: Type mismatch in argument 'calculate_force_' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:129:62: 129 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 1 ...... 262 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 2 Warning: Type mismatch in argument 'calculate_image_energy' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:388:44: 388 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, r, rc,& | 1 ...... 412 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, cutoff& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:398:50: 398 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 1 ...... 421 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:256:10: 256 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘max_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:256:10: 256 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘min_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:256:10: 256 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_layers_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:256:10: 256 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_nodes_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:533:10: 533 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘num_fingerprints_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:533:10: 533 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprintprimes’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:533:10: 533 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_energies’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_forces’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_numbers’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_positions’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘elements_numbers’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_images_atoms’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_neighbors’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘raveled_neighborlists’ which has been explicitly imported at (1) [-Wunused-variable] /usr/bin/gfortran -Wall -g -Wall -g -shared -Wl,-z,relro -Wl,-z,now -shared build/temp.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp/fmodulesmodule.o build/temp.linux-x86_64-3.10/build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp/fortranobject.o build/temp.linux-x86_64-3.10/amp/model/neuralnetwork.o build/temp.linux-x86_64-3.10/amp/descriptor/cutoffs.o build/temp.linux-x86_64-3.10/amp/model.o build/temp.linux-x86_64-3.10/amp/descriptor/gaussian.o build/temp.linux-x86_64-3.10/amp/descriptor/zernike.o build/temp.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.o -L/usr/lib/gcc/x86_64-linux-gnu/11 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -o /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/fmodules.cpython-310-x86_64-linux-gnu.so ########### EXT COMPILER OPTIMIZATION ########### Platform : Architecture: x64 Compiler : gcc CPU baseline : Requested : 'min' Enabled : SSE SSE2 SSE3 Flags : -msse -msse2 -msse3 Extra checks: none CPU dispatch : Requested : 'max -xop -fma4' Enabled : SSSE3 SSE41 POPCNT SSE42 AVX F16C FMA3 AVX2 AVX512F AVX512CD AVX512_KNL AVX512_KNM AVX512_SKX AVX512_CLX AVX512_CNL AVX512_ICL Generated : none CCompilerOpt.cache_flush[809] : write cache to path -> /build/amp-8HGaLP/amp-0.6.1/build/temp.linux-x86_64-3.10/ccompiler_opt_cache_ext.py I: pybuild pybuild:285: make -C amp python3.10 python3.9 make[1]: Entering directory '/build/amp-8HGaLP/amp-0.6.1/amp' Building for python3.10 (3.10) make -C model make[2]: Entering directory '/build/amp-8HGaLP/amp-0.6.1/amp/model' make[2]: 'neuralnetwork.mod' is up to date. make[2]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1/amp/model' make -C descriptor make[2]: Entering directory '/build/amp-8HGaLP/amp-0.6.1/amp/descriptor' make[2]: 'cutoffs.mod' is up to date. make[2]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1/amp/descriptor' f2py3.10 -c -m fmodules model.f90 descriptor/cutoffs.f90 descriptor/gaussian.f90 descriptor/zernike.f90 model/neuralnetwork.f90 running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "fmodules" sources f2py options: [] f2py:> /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c creating /tmp/tmpouz1_7gf/src.linux-x86_64-3.10 rmbadname1: Replacing "index" with "index_bn". Reading fortran codes... Reading file 'model.f90' (format:fix) Line #99 in model.f90:" type:: image_forces " analyzeline: No name/args pattern found for line. Line #104 in model.f90:" type:: integer_one_d_array " analyzeline: No name/args pattern found for line. Line #109 in model.f90:" type:: embedded_real_one_one_d_array " analyzeline: No name/args pattern found for line. Line #114 in model.f90:" type:: embedded_real_one_two_d_array " analyzeline: No name/args pattern found for line. Line #119 in model.f90:" type:: embedded_integer_one_one_d_array " analyzeline: No name/args pattern found for line. Line #124 in model.f90:" type:: embedded_one_one_two_d_array " analyzeline: No name/args pattern found for line. Reading file 'descriptor/cutoffs.f90' (format:fix) Reading file 'descriptor/gaussian.f90' (format:free) Reading file 'descriptor/zernike.f90' (format:free) Reading file 'model/neuralnetwork.f90' (format:fix) Line #17 in model/neuralnetwork.f90:" type:: real_two_d_array " analyzeline: No name/args pattern found for line. Line #22 in model/neuralnetwork.f90:" type:: element_parameters " analyzeline: No name/args pattern found for line. Line #29 in model/neuralnetwork.f90:" type:: real_one_d_array " analyzeline: No name/args pattern found for line. Post-processing... Block: fmodules Block: check_version Block: fingerprint_props Block: model_props Block: images_props {} In: :fmodules:model.f90:calculate_loss:calculate_energy vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_forces vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_numerical_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_dforces_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_numerical_dforces_dparameters vars2fortran: No typespec for argument "image_no". Block: calculate_loss In: :fmodules:model.f90:calculate_loss get_useparameters: no module neuralnetwork info used by calculate_loss Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: deallocate_variables In: :fmodules:model.f90:deallocate_variables get_useparameters: no module neuralnetwork info used by deallocate_variables Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_g2 Block: calculate_g4 Block: calculate_g2_prime Block: calculate_g4_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Post-processing (stage 2)... Block: fmodules Block: unknown_interface Block: check_version Block: fingerprint_props Block: model_props Block: images_props Block: calculate_loss Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: deallocate_variables Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_g2 Block: calculate_g4 Block: calculate_g2_prime Block: calculate_g4_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Building modules... Building module "fmodules"... Constructing wrapper function "check_version"... warning = check_version(version) Constructing wrapper function "calculate_loss"... loss,dloss_dparameters,energyloss,forceloss,energy_maxresid,force_maxresid = calculate_loss(parameters,lossprime,[num_parameters]) Constructing wrapper function "deallocate_variables"... deallocate_variables() Constructing wrapper function "calculate_g2"... ridge = calculate_g2(neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g4"... ridge = calculate_g4(neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g2_prime"... ridge = calculate_g2_prime(neighborindices,neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_g4_prime"... ridge = calculate_g4_prime(neighborindices,neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_zernike_prime"... norm_prime = calculate_zernike_prime(n,l,n_indices,numbers,rs,g_numbers,cutoff,indexx,home,p,q,factorial,cutofffn,[n_length,fac_length,p_gamma]) Constructing wrapper function "calculate_z"... output = calculate_z(n,l,m,x,y,z,factorial,[length]) Constructing wrapper function "calculate_z_prime"... output = calculate_z_prime(n,l,m,x,y,z,p,factorial,[length]) Constructing wrapper function "calculate_q"... output = calculate_q(nu,k,l,factorial,[length]) Constructing wrapper function "binomial"... output = binomial(n,k,factorial,[length]) Constructing F90 module support for "fingerprint_props"... Variables: num_fingerprints_of_elements raveled_fingerprints raveled_fingerprintprimes getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Constructing F90 module support for "model_props"... Variables: mode_signal train_forces energy_coefficient force_coefficient overfit numericprime d Constructing F90 module support for "images_props"... Variables: num_images num_elements elements_numbers num_images_atoms atomic_numbers num_neighbors raveled_neighborlists actual_energies actual_forces num_atoms atomic_positions getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Constructing F90 module support for "cutoffs"... Creating wrapper for Fortran function "cutoff_fxn"("cutoff_fxn")... Constructing wrapper function "cutoffs.cutoff_fxn"... cutoff_fxn = cutoff_fxn(r,rc,cutofffn,[p_gamma]) Creating wrapper for Fortran function "cutoff_fxn_prime"("cutoff_fxn_prime")... Constructing wrapper function "cutoffs.cutoff_fxn_prime"... cutoff_fxn_prime = cutoff_fxn_prime(r,rc,cutofffn,[p_gamma]) Constructing F90 module support for "neuralnetwork"... Variables: min_fingerprints max_fingerprints no_layers_of_elements no_nodes_of_elements activation_signal getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type Creating wrapper for Fortran function "calculate_image_energy"("calculate_image_energy")... Constructing wrapper function "neuralnetwork.calculate_image_energy"... calculate_image_energy = calculate_image_energy(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_atomic_energy"("calculate_atomic_energy")... Constructing wrapper function "neuralnetwork.calculate_atomic_energy"... calculate_atomic_energy = calculate_atomic_energy(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_force_"("calculate_force_")... Constructing wrapper function "neuralnetwork.calculate_force_"... calculate_force_ = calculate_force_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_force"("calculate_force")... Constructing wrapper function "neuralnetwork.calculate_force"... calculate_force = calculate_force(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_denergy_dparameters_"("calculate_denergy_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_denergy_dparameters_"... calculate_denergy_dparameters_ = calculate_denergy_dparameters_(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_datomicenergy_dparameters"("calculate_datomicenergy_dparameters")... Constructing wrapper function "neuralnetwork.calculate_datomicenergy_dparameters"... calculate_datomicenergy_dparameters = calculate_datomicenergy_dparameters(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters_"("calculate_dforce_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters_"... calculate_dforce_dparameters_ = calculate_dforce_dparameters_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters"("calculate_dforce_dparameters")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters"... calculate_dforce_dparameters = calculate_dforce_dparameters(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Wrote C/API module "fmodules" to file "/tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c" Fortran 90 wrappers are saved to "/tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90" adding '/tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fortranobject.c' to sources. adding '/tmp/tmpouz1_7gf/src.linux-x86_64-3.10' to include_dirs. copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.c -> /tmp/tmpouz1_7gf/src.linux-x86_64-3.10 copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.h -> /tmp/tmpouz1_7gf/src.linux-x86_64-3.10 adding '/tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_ext customize UnixCCompiler customize UnixCCompiler using build_ext get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'nv', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor', 'fujitsu']' customize Gnu95FCompiler Found executable /usr/bin/gfortran customize Gnu95FCompiler customize Gnu95FCompiler using build_ext building 'fmodules' extension compiling C sources C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC creating /tmp/tmpouz1_7gf/tmp creating /tmp/tmpouz1_7gf/tmp/tmpouz1_7gf creating /tmp/tmpouz1_7gf/tmp/tmpouz1_7gf/src.linux-x86_64-3.10 compile options: '-DNPY_DISABLE_OPTIMIZATION=1 -I/tmp/tmpouz1_7gf/src.linux-x86_64-3.10 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.10 -c' x86_64-linux-gnu-gcc: /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c x86_64-linux-gnu-gcc: /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fortranobject.c In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fortranobject.h:13, from /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:16: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c: In function ‘f2py_setup_fingerprint_props’: /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4009:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4009 | f2py_fingerprint_props_def[i_f2py++].func = num_fingerprints_of_elements; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4010:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4010 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprints; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4011:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4011 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprintprimes; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c: In function ‘f2py_setup_images_props’: /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4065:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4065 | f2py_images_props_def[i_f2py++].func = elements_numbers; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4066:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4066 | f2py_images_props_def[i_f2py++].func = num_images_atoms; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4067:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4067 | f2py_images_props_def[i_f2py++].func = atomic_numbers; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4068:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4068 | f2py_images_props_def[i_f2py++].func = num_neighbors; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4069:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4069 | f2py_images_props_def[i_f2py++].func = raveled_neighborlists; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4070:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4070 | f2py_images_props_def[i_f2py++].func = actual_energies; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4071:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4071 | f2py_images_props_def[i_f2py++].func = actual_forces; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4073:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4073 | f2py_images_props_def[i_f2py++].func = atomic_positions; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c: In function ‘f2py_setup_neuralnetwork’: /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4117:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4117 | f2py_neuralnetwork_def[i_f2py++].func = min_fingerprints; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4118:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4118 | f2py_neuralnetwork_def[i_f2py++].func = max_fingerprints; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4119:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4119 | f2py_neuralnetwork_def[i_f2py++].func = no_layers_of_elements; | ^ /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:4120:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4120 | f2py_neuralnetwork_def[i_f2py++].func = no_nodes_of_elements; | ^ At top level: /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.c:144:12: warning: ‘f2py_size’ defined but not used [-Wunused-function] 144 | static int f2py_size(PyArrayObject* var, ...) | ^~~~~~~~~ In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fortranobject.h:13, from /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fortranobject.c:2: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ compiling Fortran 90 module sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops creating /tmp/tmpouz1_7gf/descriptor creating /tmp/tmpouz1_7gf/model compile options: '-I/tmp/tmpouz1_7gf/src.linux-x86_64-3.10 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.10 -c' extra options: '-J/tmp/tmpouz1_7gf/ -I/tmp/tmpouz1_7gf/' gfortran:f90: model.f90 model.f90:219:2: 219 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:220:2: 220 | denergy_dparameters(j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:221:2: 221 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:269:2: 269 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:270:2: 270 | allocate(dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:271:2: 271 | selfindex)%twodarray(3, num_parameters)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:272:2: 272 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:273:2: 273 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:274:2: 274 | dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:275:2: 275 | selfindex)%twodarray(i, j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:276:2: 276 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:277:2: 277 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:278:2: 278 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:300:2: 300 | do p = 1, size(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:301:2: 301 | deallocate(dforces_dparameters(p)%twodarray) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:302:2: 302 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:303:2: 303 | deallocate(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:323:2: 323 | doverfitloss_dparameters(j) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:646:2: 646 | allocate(fplus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:647:2: 647 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:648:2: 648 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:649:2: 649 | fplus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:650:2: 650 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:651:2: 651 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:655:2: 655 | allocate(fminus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:656:2: 656 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:657:2: 657 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:658:2: 658 | fminus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:659:2: 659 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:660:2: 660 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] gfortran:f90: descriptor/cutoffs.f90 gfortran:f90: model/neuralnetwork.f90 model/neuralnetwork.f90:1379:2: 1379 | unraveled_dforce_dweights(layer)%twodarray(p, q) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1380:2: 1380 | -1.0d0 * unraveled_dforce_dweights(layer)%twodarray(p, q) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1767:2: 1767 | unraveled_dforce_dparameters(element)%slope = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1768:2: 1768 | -1.0d0 * unraveled_dforce_dparameters(element)%slope | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1802:2: 1802 | unraveled_dforce_dparameters(element)%weights(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] compiling Fortran sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops compile options: '-I/tmp/tmpouz1_7gf/src.linux-x86_64-3.10 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.10 -c' extra options: '-J/tmp/tmpouz1_7gf/ -I/tmp/tmpouz1_7gf/' gfortran:f90: descriptor/gaussian.f90 gfortran:f90: descriptor/zernike.f90 gfortran:f90: /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90 /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:407:44: 407 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, r, rc,& | 1 ...... 431 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, cutoff& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:417:50: 417 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 1 ...... 440 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:591:63: 591 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 1 ...... 722 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 2 Warning: Type mismatch in argument 'calculate_atomic_energy' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:652:9: 652 | &ers (calculate_datomicenergy_dparametersf2pywrap, symbol, len_of_f& | 1 ...... 775 | &ers (calculate_datomicenergy_dparametersf2pywrap, calculate_datomi& | 2 Warning: Type mismatch in argument 'calculate_datomicenergy_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:637:70: 637 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 1 ...... 762 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 2 Warning: Type mismatch in argument 'calculate_denergy_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:685:68: 685 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 1 ...... 804 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:670:69: 670 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 1 ...... 791 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:620:55: 620 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 1 ...... 747 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 2 Warning: Type mismatch in argument 'calculate_force' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:607:56: 607 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 1 ...... 736 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 2 Warning: Type mismatch in argument 'calculate_force_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:579:62: 579 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 1 ...... 712 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 2 Warning: Type mismatch in argument 'calculate_image_energy' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘num_fingerprints_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprintprimes’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_energies’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_forces’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_numbers’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_positions’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘elements_numbers’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_images_atoms’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_neighbors’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘raveled_neighborlists’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘max_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘min_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_layers_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_nodes_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /usr/bin/gfortran -Wall -g -Wall -g -shared -Wl,-z,relro -Wl,-z,now -shared /tmp/tmpouz1_7gf/tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodulesmodule.o /tmp/tmpouz1_7gf/tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fortranobject.o /tmp/tmpouz1_7gf/model.o /tmp/tmpouz1_7gf/descriptor/cutoffs.o /tmp/tmpouz1_7gf/model/neuralnetwork.o /tmp/tmpouz1_7gf/descriptor/gaussian.o /tmp/tmpouz1_7gf/descriptor/zernike.o /tmp/tmpouz1_7gf/tmp/tmpouz1_7gf/src.linux-x86_64-3.10/fmodules-f2pywrappers2.o -L/usr/lib/gcc/x86_64-linux-gnu/11 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -o /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/fmodules.cpython-310-x86_64-linux-gnu.so Removing build directory /tmp/tmpouz1_7gf Building for python3.9 (3.9) make -C model make[2]: Entering directory '/build/amp-8HGaLP/amp-0.6.1/amp/model' make[2]: 'neuralnetwork.mod' is up to date. make[2]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1/amp/model' make -C descriptor make[2]: Entering directory '/build/amp-8HGaLP/amp-0.6.1/amp/descriptor' make[2]: 'cutoffs.mod' is up to date. make[2]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1/amp/descriptor' f2py3.9 -c -m fmodules model.f90 descriptor/cutoffs.f90 descriptor/gaussian.f90 descriptor/zernike.f90 model/neuralnetwork.f90 running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "fmodules" sources f2py options: [] f2py:> /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c creating /tmp/tmpuuadl309/src.linux-x86_64-3.9 rmbadname1: Replacing "index" with "index_bn". Reading fortran codes... Reading file 'model.f90' (format:fix) Line #99 in model.f90:" type:: image_forces " analyzeline: No name/args pattern found for line. Line #104 in model.f90:" type:: integer_one_d_array " analyzeline: No name/args pattern found for line. Line #109 in model.f90:" type:: embedded_real_one_one_d_array " analyzeline: No name/args pattern found for line. Line #114 in model.f90:" type:: embedded_real_one_two_d_array " analyzeline: No name/args pattern found for line. Line #119 in model.f90:" type:: embedded_integer_one_one_d_array " analyzeline: No name/args pattern found for line. Line #124 in model.f90:" type:: embedded_one_one_two_d_array " analyzeline: No name/args pattern found for line. Reading file 'descriptor/cutoffs.f90' (format:fix) Reading file 'descriptor/gaussian.f90' (format:free) Reading file 'descriptor/zernike.f90' (format:free) Reading file 'model/neuralnetwork.f90' (format:fix) Line #17 in model/neuralnetwork.f90:" type:: real_two_d_array " analyzeline: No name/args pattern found for line. Line #22 in model/neuralnetwork.f90:" type:: element_parameters " analyzeline: No name/args pattern found for line. Line #29 in model/neuralnetwork.f90:" type:: real_one_d_array " analyzeline: No name/args pattern found for line. Post-processing... Block: fmodules Block: check_version Block: fingerprint_props Block: model_props Block: images_props {} In: :fmodules:model.f90:calculate_loss:calculate_energy vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_forces vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_numerical_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_dforces_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:model.f90:calculate_loss:calculate_numerical_dforces_dparameters vars2fortran: No typespec for argument "image_no". Block: calculate_loss In: :fmodules:model.f90:calculate_loss get_useparameters: no module neuralnetwork info used by calculate_loss Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: unknown_type In: :fmodules:model.f90:calculate_loss:unknown_type get_useparameters: no module neuralnetwork info used by unknown_type Block: deallocate_variables In: :fmodules:model.f90:deallocate_variables get_useparameters: no module neuralnetwork info used by deallocate_variables Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_g2 Block: calculate_g4 Block: calculate_g2_prime Block: calculate_g4_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Post-processing (stage 2)... Block: fmodules Block: unknown_interface Block: check_version Block: fingerprint_props Block: model_props Block: images_props Block: calculate_loss Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: deallocate_variables Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_g2 Block: calculate_g4 Block: calculate_g2_prime Block: calculate_g4_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Building modules... Building module "fmodules"... Constructing wrapper function "check_version"... warning = check_version(version) Constructing wrapper function "calculate_loss"... loss,dloss_dparameters,energyloss,forceloss,energy_maxresid,force_maxresid = calculate_loss(parameters,lossprime,[num_parameters]) Constructing wrapper function "deallocate_variables"... deallocate_variables() Constructing wrapper function "calculate_g2"... ridge = calculate_g2(neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g4"... ridge = calculate_g4(neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g2_prime"... ridge = calculate_g2_prime(neighborindices,neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_g4_prime"... ridge = calculate_g4_prime(neighborindices,neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_zernike_prime"... norm_prime = calculate_zernike_prime(n,l,n_indices,numbers,rs,g_numbers,cutoff,indexx,home,p,q,factorial,cutofffn,[n_length,fac_length,p_gamma]) Constructing wrapper function "calculate_z"... output = calculate_z(n,l,m,x,y,z,factorial,[length]) Constructing wrapper function "calculate_z_prime"... output = calculate_z_prime(n,l,m,x,y,z,p,factorial,[length]) Constructing wrapper function "calculate_q"... output = calculate_q(nu,k,l,factorial,[length]) Constructing wrapper function "binomial"... output = binomial(n,k,factorial,[length]) Constructing F90 module support for "fingerprint_props"... Variables: num_fingerprints_of_elements raveled_fingerprints raveled_fingerprintprimes getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Constructing F90 module support for "model_props"... Variables: mode_signal train_forces energy_coefficient force_coefficient overfit numericprime d Constructing F90 module support for "images_props"... Variables: num_images num_elements elements_numbers num_images_atoms atomic_numbers num_neighbors raveled_neighborlists actual_energies actual_forces num_atoms atomic_positions getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Constructing F90 module support for "cutoffs"... Creating wrapper for Fortran function "cutoff_fxn"("cutoff_fxn")... Constructing wrapper function "cutoffs.cutoff_fxn"... cutoff_fxn = cutoff_fxn(r,rc,cutofffn,[p_gamma]) Creating wrapper for Fortran function "cutoff_fxn_prime"("cutoff_fxn_prime")... Constructing wrapper function "cutoffs.cutoff_fxn_prime"... cutoff_fxn_prime = cutoff_fxn_prime(r,rc,cutofffn,[p_gamma]) Constructing F90 module support for "neuralnetwork"... Variables: min_fingerprints max_fingerprints no_layers_of_elements no_nodes_of_elements activation_signal getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type Creating wrapper for Fortran function "calculate_image_energy"("calculate_image_energy")... Constructing wrapper function "neuralnetwork.calculate_image_energy"... calculate_image_energy = calculate_image_energy(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_atomic_energy"("calculate_atomic_energy")... Constructing wrapper function "neuralnetwork.calculate_atomic_energy"... calculate_atomic_energy = calculate_atomic_energy(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_force_"("calculate_force_")... Constructing wrapper function "neuralnetwork.calculate_force_"... calculate_force_ = calculate_force_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_force"("calculate_force")... Constructing wrapper function "neuralnetwork.calculate_force"... calculate_force = calculate_force(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_denergy_dparameters_"("calculate_denergy_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_denergy_dparameters_"... calculate_denergy_dparameters_ = calculate_denergy_dparameters_(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_datomicenergy_dparameters"("calculate_datomicenergy_dparameters")... Constructing wrapper function "neuralnetwork.calculate_datomicenergy_dparameters"... calculate_datomicenergy_dparameters = calculate_datomicenergy_dparameters(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters_"("calculate_dforce_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters_"... calculate_dforce_dparameters_ = calculate_dforce_dparameters_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters"("calculate_dforce_dparameters")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters"... calculate_dforce_dparameters = calculate_dforce_dparameters(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Wrote C/API module "fmodules" to file "/tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c" Fortran 90 wrappers are saved to "/tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90" adding '/tmp/tmpuuadl309/src.linux-x86_64-3.9/fortranobject.c' to sources. adding '/tmp/tmpuuadl309/src.linux-x86_64-3.9' to include_dirs. copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.c -> /tmp/tmpuuadl309/src.linux-x86_64-3.9 copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.h -> /tmp/tmpuuadl309/src.linux-x86_64-3.9 adding '/tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_ext customize UnixCCompiler customize UnixCCompiler using build_ext get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'nv', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor', 'fujitsu']' customize Gnu95FCompiler Found executable /usr/bin/gfortran customize Gnu95FCompiler customize Gnu95FCompiler using build_ext building 'fmodules' extension compiling C sources C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC creating /tmp/tmpuuadl309/tmp creating /tmp/tmpuuadl309/tmp/tmpuuadl309 creating /tmp/tmpuuadl309/tmp/tmpuuadl309/src.linux-x86_64-3.9 compile options: '-DNPY_DISABLE_OPTIMIZATION=1 -I/tmp/tmpuuadl309/src.linux-x86_64-3.9 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.9 -c' x86_64-linux-gnu-gcc: /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c x86_64-linux-gnu-gcc: /tmp/tmpuuadl309/src.linux-x86_64-3.9/fortranobject.c In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from /tmp/tmpuuadl309/src.linux-x86_64-3.9/fortranobject.h:13, from /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:16: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from /tmp/tmpuuadl309/src.linux-x86_64-3.9/fortranobject.h:13, from /tmp/tmpuuadl309/src.linux-x86_64-3.9/fortranobject.c:2: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c: In function ‘f2py_setup_fingerprint_props’: /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4009:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4009 | f2py_fingerprint_props_def[i_f2py++].func = num_fingerprints_of_elements; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4010:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4010 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprints; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4011:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4011 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprintprimes; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c: In function ‘f2py_setup_images_props’: /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4065:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4065 | f2py_images_props_def[i_f2py++].func = elements_numbers; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4066:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4066 | f2py_images_props_def[i_f2py++].func = num_images_atoms; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4067:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4067 | f2py_images_props_def[i_f2py++].func = atomic_numbers; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4068:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4068 | f2py_images_props_def[i_f2py++].func = num_neighbors; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4069:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4069 | f2py_images_props_def[i_f2py++].func = raveled_neighborlists; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4070:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4070 | f2py_images_props_def[i_f2py++].func = actual_energies; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4071:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4071 | f2py_images_props_def[i_f2py++].func = actual_forces; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4073:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4073 | f2py_images_props_def[i_f2py++].func = atomic_positions; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c: In function ‘f2py_setup_neuralnetwork’: /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4117:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4117 | f2py_neuralnetwork_def[i_f2py++].func = min_fingerprints; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4118:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4118 | f2py_neuralnetwork_def[i_f2py++].func = max_fingerprints; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4119:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4119 | f2py_neuralnetwork_def[i_f2py++].func = no_layers_of_elements; | ^ /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:4120:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4120 | f2py_neuralnetwork_def[i_f2py++].func = no_nodes_of_elements; | ^ At top level: /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.c:144:12: warning: ‘f2py_size’ defined but not used [-Wunused-function] 144 | static int f2py_size(PyArrayObject* var, ...) | ^~~~~~~~~ compiling Fortran 90 module sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops creating /tmp/tmpuuadl309/descriptor creating /tmp/tmpuuadl309/model compile options: '-I/tmp/tmpuuadl309/src.linux-x86_64-3.9 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.9 -c' extra options: '-J/tmp/tmpuuadl309/ -I/tmp/tmpuuadl309/' gfortran:f90: model.f90 model.f90:219:2: 219 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:220:2: 220 | denergy_dparameters(j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:221:2: 221 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:269:2: 269 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:270:2: 270 | allocate(dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:271:2: 271 | selfindex)%twodarray(3, num_parameters)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:272:2: 272 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:273:2: 273 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:274:2: 274 | dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:275:2: 275 | selfindex)%twodarray(i, j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:276:2: 276 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:277:2: 277 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:278:2: 278 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:300:2: 300 | do p = 1, size(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:301:2: 301 | deallocate(dforces_dparameters(p)%twodarray) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:302:2: 302 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:303:2: 303 | deallocate(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:323:2: 323 | doverfitloss_dparameters(j) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:646:2: 646 | allocate(fplus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:647:2: 647 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:648:2: 648 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:649:2: 649 | fplus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:650:2: 650 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:651:2: 651 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:655:2: 655 | allocate(fminus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:656:2: 656 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:657:2: 657 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:658:2: 658 | fminus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:659:2: 659 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model.f90:660:2: 660 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] gfortran:f90: descriptor/cutoffs.f90 gfortran:f90: model/neuralnetwork.f90 model/neuralnetwork.f90:1379:2: 1379 | unraveled_dforce_dweights(layer)%twodarray(p, q) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1380:2: 1380 | -1.0d0 * unraveled_dforce_dweights(layer)%twodarray(p, q) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1767:2: 1767 | unraveled_dforce_dparameters(element)%slope = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1768:2: 1768 | -1.0d0 * unraveled_dforce_dparameters(element)%slope | 1 Warning: Nonconforming tab character at (1) [-Wtabs] model/neuralnetwork.f90:1802:2: 1802 | unraveled_dforce_dparameters(element)%weights(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] compiling Fortran sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops compile options: '-I/tmp/tmpuuadl309/src.linux-x86_64-3.9 -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.9 -c' extra options: '-J/tmp/tmpuuadl309/ -I/tmp/tmpuuadl309/' gfortran:f90: descriptor/gaussian.f90 gfortran:f90: descriptor/zernike.f90 gfortran:f90: /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90 /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:407:44: 407 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, r, rc,& | 1 ...... 431 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, cutoff& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:417:50: 417 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 1 ...... 440 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:591:63: 591 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 1 ...... 722 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 2 Warning: Type mismatch in argument 'calculate_atomic_energy' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:652:9: 652 | &ers (calculate_datomicenergy_dparametersf2pywrap, symbol, len_of_f& | 1 ...... 775 | &ers (calculate_datomicenergy_dparametersf2pywrap, calculate_datomi& | 2 Warning: Type mismatch in argument 'calculate_datomicenergy_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:637:70: 637 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 1 ...... 762 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 2 Warning: Type mismatch in argument 'calculate_denergy_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:685:68: 685 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 1 ...... 804 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:670:69: 670 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 1 ...... 791 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:620:55: 620 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 1 ...... 747 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 2 Warning: Type mismatch in argument 'calculate_force' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:607:56: 607 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 1 ...... 736 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 2 Warning: Type mismatch in argument 'calculate_force_' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:579:62: 579 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 1 ...... 712 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 2 Warning: Type mismatch in argument 'calculate_image_energy' (REAL(8)/INTEGER(4)) between (1) and (2) /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘num_fingerprints_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprintprimes’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:102:10: 102 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_energies’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_forces’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_numbers’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_positions’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘elements_numbers’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_images_atoms’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_neighbors’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:379:10: 379 | use images_props, only : num_images | 1 Warning: Unused module variable ‘raveled_neighborlists’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘max_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘min_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_layers_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.f90:706:10: 706 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_nodes_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] /usr/bin/gfortran -Wall -g -Wall -g -shared -Wl,-z,relro -Wl,-z,now -shared /tmp/tmpuuadl309/tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodulesmodule.o /tmp/tmpuuadl309/tmp/tmpuuadl309/src.linux-x86_64-3.9/fortranobject.o /tmp/tmpuuadl309/model.o /tmp/tmpuuadl309/descriptor/cutoffs.o /tmp/tmpuuadl309/model/neuralnetwork.o /tmp/tmpuuadl309/descriptor/gaussian.o /tmp/tmpuuadl309/descriptor/zernike.o /tmp/tmpuuadl309/tmp/tmpuuadl309/src.linux-x86_64-3.9/fmodules-f2pywrappers2.o -L/usr/lib/gcc/x86_64-linux-gnu/11 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -o /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/fmodules.cpython-39-x86_64-linux-gnu.so Removing build directory /tmp/tmpuuadl309 make[1]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1/amp' I: pybuild base:237: /usr/bin/python3 setup.py build /usr/lib/python3.9/distutils/dist.py:274: UserWarning: Unknown distribution option: 'install_requires' warnings.warn(msg) running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "amp.fmodules" sources f2py options: [] f2py:> build/src.linux-x86_64-3.9/amp/fmodulesmodule.c creating build/src.linux-x86_64-3.9 creating build/src.linux-x86_64-3.9/amp rmbadname1: Replacing "index" with "index_bn". Reading fortran codes... Reading file 'amp/model/neuralnetwork.f90' (format:fix) Line #17 in amp/model/neuralnetwork.f90:" type:: real_two_d_array " analyzeline: No name/args pattern found for line. Line #22 in amp/model/neuralnetwork.f90:" type:: element_parameters " analyzeline: No name/args pattern found for line. Line #29 in amp/model/neuralnetwork.f90:" type:: real_one_d_array " analyzeline: No name/args pattern found for line. Reading file 'amp/descriptor/gaussian.f90' (format:free) Reading file 'amp/descriptor/cutoffs.f90' (format:fix) Reading file 'amp/descriptor/zernike.f90' (format:free) Reading file 'amp/model.f90' (format:fix) Line #99 in amp/model.f90:" type:: image_forces " analyzeline: No name/args pattern found for line. Line #104 in amp/model.f90:" type:: integer_one_d_array " analyzeline: No name/args pattern found for line. Line #109 in amp/model.f90:" type:: embedded_real_one_one_d_array " analyzeline: No name/args pattern found for line. Line #114 in amp/model.f90:" type:: embedded_real_one_two_d_array " analyzeline: No name/args pattern found for line. Line #119 in amp/model.f90:" type:: embedded_integer_one_one_d_array " analyzeline: No name/args pattern found for line. Line #124 in amp/model.f90:" type:: embedded_one_one_two_d_array " analyzeline: No name/args pattern found for line. Post-processing... Block: fmodules Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Block: calculate_g2 In: :fmodules:amp/descriptor/gaussian.f90:calculate_g2 get_useparameters: no module cutoffs info used by calculate_g2 Block: calculate_g4 In: :fmodules:amp/descriptor/gaussian.f90:calculate_g4 get_useparameters: no module cutoffs info used by calculate_g4 Block: calculate_g2_prime In: :fmodules:amp/descriptor/gaussian.f90:calculate_g2_prime get_useparameters: no module cutoffs info used by calculate_g2_prime Block: calculate_g4_prime In: :fmodules:amp/descriptor/gaussian.f90:calculate_g4_prime get_useparameters: no module cutoffs info used by calculate_g4_prime Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: check_version Block: fingerprint_props Block: model_props Block: images_props {} In: :fmodules:amp/model.f90:calculate_loss:calculate_energy vars2fortran: No typespec for argument "image_no". {} In: :fmodules:amp/model.f90:calculate_loss:calculate_forces vars2fortran: No typespec for argument "image_no". {} In: :fmodules:amp/model.f90:calculate_loss:calculate_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:amp/model.f90:calculate_loss:calculate_numerical_denergy_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:amp/model.f90:calculate_loss:calculate_dforces_dparameters vars2fortran: No typespec for argument "image_no". {} In: :fmodules:amp/model.f90:calculate_loss:calculate_numerical_dforces_dparameters vars2fortran: No typespec for argument "image_no". Block: calculate_loss Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: deallocate_variables Post-processing (stage 2)... Block: fmodules Block: unknown_interface Block: neuralnetwork Block: unknown_type Block: unknown_type Block: unknown_type Block: calculate_image_energy Block: calculate_atomic_energy Block: calculate_force_ Block: calculate_force Block: calculate_denergy_dparameters_ Block: calculate_datomicenergy_dparameters Block: calculate_dforce_dparameters_ Block: calculate_dforce_dparameters Block: calculate_g2 Block: calculate_g4 Block: calculate_g2_prime Block: calculate_g4_prime Block: cutoffs Block: cutoff_fxn Block: cutoff_fxn_prime Block: calculate_zernike_prime Block: calculate_z Block: calculate_z_prime Block: calculate_q Block: binomial Block: check_version Block: fingerprint_props Block: model_props Block: images_props Block: calculate_loss Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: unknown_type Block: deallocate_variables Building modules... Building module "fmodules"... Constructing wrapper function "calculate_g2"... ridge = calculate_g2(neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g4"... ridge = calculate_g4(neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,ri,[p_gamma]) Constructing wrapper function "calculate_g2_prime"... ridge = calculate_g2_prime(neighborindices,neighbornumbers,neighborpositions,g_number,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_g4_prime"... ridge = calculate_g4_prime(neighborindices,neighbornumbers,neighborpositions,g_numbers,g_gamma,g_zeta,g_eta,rc,cutofffn,i,ri,m,l,[p_gamma]) Constructing wrapper function "calculate_zernike_prime"... norm_prime = calculate_zernike_prime(n,l,n_indices,numbers,rs,g_numbers,cutoff,indexx,home,p,q,factorial,cutofffn,[n_length,fac_length,p_gamma]) Constructing wrapper function "calculate_z"... output = calculate_z(n,l,m,x,y,z,factorial,[length]) Constructing wrapper function "calculate_z_prime"... output = calculate_z_prime(n,l,m,x,y,z,p,factorial,[length]) Constructing wrapper function "calculate_q"... output = calculate_q(nu,k,l,factorial,[length]) Constructing wrapper function "binomial"... output = binomial(n,k,factorial,[length]) Constructing wrapper function "check_version"... warning = check_version(version) Constructing wrapper function "calculate_loss"... loss,dloss_dparameters,energyloss,forceloss,energy_maxresid,force_maxresid = calculate_loss(parameters,lossprime,[num_parameters]) Constructing wrapper function "deallocate_variables"... deallocate_variables() Constructing F90 module support for "neuralnetwork"... Variables: min_fingerprints max_fingerprints no_layers_of_elements no_nodes_of_elements activation_signal getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type f90mod_rules.buildhooks: skipping type unknown_type Creating wrapper for Fortran function "calculate_image_energy"("calculate_image_energy")... Constructing wrapper function "neuralnetwork.calculate_image_energy"... calculate_image_energy = calculate_image_energy(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_atomic_energy"("calculate_atomic_energy")... Constructing wrapper function "neuralnetwork.calculate_atomic_energy"... calculate_atomic_energy = calculate_atomic_energy(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_force_"("calculate_force_")... Constructing wrapper function "neuralnetwork.calculate_force_"... calculate_force_ = calculate_force_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_force"("calculate_force")... Constructing wrapper function "neuralnetwork.calculate_force"... calculate_force = calculate_force(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_denergy_dparameters_"("calculate_denergy_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_denergy_dparameters_"... calculate_denergy_dparameters_ = calculate_denergy_dparameters_(inputs,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_datomicenergy_dparameters"("calculate_datomicenergy_dparameters")... Constructing wrapper function "neuralnetwork.calculate_datomicenergy_dparameters"... calculate_datomicenergy_dparameters = calculate_datomicenergy_dparameters(symbol,fingerprint,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters_"("calculate_dforce_dparameters_")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters_"... calculate_dforce_dparameters_ = calculate_dforce_dparameters_(inputs,inputs_,parameters,[num_inputs,num_parameters]) Creating wrapper for Fortran function "calculate_dforce_dparameters"("calculate_dforce_dparameters")... Constructing wrapper function "neuralnetwork.calculate_dforce_dparameters"... calculate_dforce_dparameters = calculate_dforce_dparameters(symbol,fingerprint,fingerprintprime,elements_numbers,parameters,[len_of_fingerprint,num_elements,num_parameters]) Constructing F90 module support for "cutoffs"... Creating wrapper for Fortran function "cutoff_fxn"("cutoff_fxn")... Constructing wrapper function "cutoffs.cutoff_fxn"... cutoff_fxn = cutoff_fxn(r,rc,cutofffn,[p_gamma]) Creating wrapper for Fortran function "cutoff_fxn_prime"("cutoff_fxn_prime")... Constructing wrapper function "cutoffs.cutoff_fxn_prime"... cutoff_fxn_prime = cutoff_fxn_prime(r,rc,cutofffn,[p_gamma]) Constructing F90 module support for "fingerprint_props"... Variables: num_fingerprints_of_elements raveled_fingerprints raveled_fingerprintprimes getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Constructing F90 module support for "model_props"... Variables: mode_signal train_forces energy_coefficient force_coefficient overfit numericprime d Constructing F90 module support for "images_props"... Variables: num_images num_elements elements_numbers num_images_atoms atomic_numbers num_neighbors raveled_neighborlists actual_energies actual_forces num_atoms atomic_positions getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' getarrdims:warning: assumed shape array, using 0 instead of ':' Wrote C/API module "fmodules" to file "build/src.linux-x86_64-3.9/amp/fmodulesmodule.c" Fortran 90 wrappers are saved to "build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90" adding 'build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp' to include_dirs. creating build/src.linux-x86_64-3.9/build creating build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9 creating build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.c -> build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp copying /usr/lib/python3/dist-packages/numpy/f2py/src/fortranobject.h -> build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp adding 'build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_py creating /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp copying amp/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp copying amp/analysis.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp copying amp/utilities.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp creating /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor copying amp/descriptor/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor copying amp/descriptor/analysis.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor copying amp/descriptor/bispectrum.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor copying amp/descriptor/cutoffs.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor copying amp/descriptor/example.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor copying amp/descriptor/gaussian.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor copying amp/descriptor/zernike.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor creating /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/regression copying amp/regression/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/regression creating /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/model copying amp/model/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/model copying amp/model/__main__.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/model copying amp/model/neuralnetwork.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/model copying amp/model/tflow.py -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/model copying amp/VERSION -> /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp running build_ext customize UnixCCompiler customize UnixCCompiler using build_ext CCompilerOpt.cc_test_flags[1013] : testing flags (-march=native) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC creating /tmp/tmphxv_4w8i/usr creating /tmp/tmphxv_4w8i/usr/lib creating /tmp/tmphxv_4w8i/usr/lib/python3 creating /tmp/tmphxv_4w8i/usr/lib/python3/dist-packages creating /tmp/tmphxv_4w8i/usr/lib/python3/dist-packages/numpy creating /tmp/tmphxv_4w8i/usr/lib/python3/dist-packages/numpy/distutils creating /tmp/tmphxv_4w8i/usr/lib/python3/dist-packages/numpy/distutils/checks compile options: '-I/usr/include/python3.9 -c' extra options: '-march=native' CCompilerOpt.cc_test_flags[1013] : testing flags (-O3) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-O3' CCompilerOpt.cc_test_flags[1013] : testing flags (-Werror) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-Werror' CCompilerOpt.__init__[1701] : check requested baseline CCompilerOpt.cc_test_flags[1013] : testing flags (-msse) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse' CCompilerOpt.cc_test_flags[1013] : testing flags (-msse2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse2' CCompilerOpt.feature_test[1466] : testing feature 'SSE' with flags (-msse -msse2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -Werror' CCompilerOpt.feature_test[1466] : testing feature 'SSE2' with flags (-msse -msse2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-msse3) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse3' CCompilerOpt.feature_test[1466] : testing feature 'SSE3' with flags (-msse -msse2 -msse3) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -Werror' CCompilerOpt.__init__[1710] : check requested dispatch-able features CCompilerOpt.cc_test_flags[1013] : testing flags (-mssse3) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mssse3' CCompilerOpt.cc_test_flags[1013] : testing flags (-msse4.1) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse4.1' CCompilerOpt.cc_test_flags[1013] : testing flags (-mpopcnt) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mpopcnt' CCompilerOpt.feature_test[1466] : testing feature 'POPCNT' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -Werror' CCompilerOpt.feature_test[1466] : testing feature 'SSSE3' with flags (-msse -msse2 -msse3 -mssse3) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-msse4.2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse4.2' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mavx' CCompilerOpt.feature_test[1466] : testing feature 'AVX' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -Werror' CCompilerOpt.feature_test[1466] : testing feature 'SSE41' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -Werror' CCompilerOpt.feature_test[1466] : testing feature 'SSE42' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mf16c) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mf16c' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mavx2' CCompilerOpt.feature_test[1466] : testing feature 'AVX2' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mavx2) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mavx2 -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mfma) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mfma' CCompilerOpt.feature_test[1466] : testing feature 'FMA3' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512f) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mavx512f' CCompilerOpt.feature_test[1466] : testing feature 'AVX512F' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -Werror' CCompilerOpt.feature_test[1466] : testing feature 'F16C' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512cd) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mavx512cd' CCompilerOpt.feature_test[1466] : testing feature 'AVX512CD' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512vl -mavx512bw -mavx512dq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mavx512vl -mavx512bw -mavx512dq' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512vnni) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mavx512vnni' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_CLX' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512vnni) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512vnni -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512ifma -mavx512vbmi) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mavx512ifma -mavx512vbmi' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_CNL' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512ifma -mavx512vbmi) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512ifma -mavx512vbmi -Werror' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_SKX' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512vbmi2 -mavx512bitalg -mavx512vpopcntdq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mavx512vbmi2 -mavx512bitalg -mavx512vpopcntdq' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_ICL' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512vnni -mavx512ifma -mavx512vbmi -mavx512vbmi2 -mavx512bitalg -mavx512vpopcntdq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -mavx512vnni -mavx512ifma -mavx512vbmi -mavx512vbmi2 -mavx512bitalg -mavx512vpopcntdq -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx512er -mavx512pf) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mavx512er -mavx512pf' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_KNL' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512er -mavx512pf) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512er -mavx512pf -Werror' CCompilerOpt.cc_test_flags[1013] : testing flags (-mavx5124fmaps -mavx5124vnniw -mavx512vpopcntdq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-mavx5124fmaps -mavx5124vnniw -mavx512vpopcntdq' CCompilerOpt.feature_test[1466] : testing feature 'AVX512_KNM' with flags (-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512er -mavx512pf -mavx5124fmaps -mavx5124vnniw -mavx512vpopcntdq) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512er -mavx512pf -mavx5124fmaps -mavx5124vnniw -mavx512vpopcntdq -Werror' CCompilerOpt.__init__[1722] : skip features (SSE2 SSE3 SSE) since its part of baseline CCompilerOpt.__init__[1726] : initialize targets groups CCompilerOpt.__init__[1728] : parse target group simd_test CCompilerOpt._parse_target_tokens[1939] : skip targets (VSX3 FMA4 VSX NEON VSX2 XOP ASIMD) not part of baseline or dispatch-able features CCompilerOpt._parse_policy_not_keepbase[2051] : skip baseline features (SSE2) CCompilerOpt.generate_dispatch_header[2272] : generate CPU dispatch header: (build/src.linux-x86_64-3.9/numpy/distutils/include/npy_cpu_dispatch_config.h) CCompilerOpt.generate_dispatch_header[2281] : dispatch header dir build/src.linux-x86_64-3.9/numpy/distutils/include does not exist, creating it CCompilerOpt.feature_extra_checks[1546] : Testing extra checks for feature 'AVX512F' (AVX512F_REDUCE) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -Werror' CCompilerOpt.feature_extra_checks[1546] : Testing extra checks for feature 'AVX512_SKX' (AVX512BW_MASK AVX512DQ_MASK) C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -Werror' C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC compile options: '-I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3 -mssse3 -msse4.1 -mpopcnt -msse4.2 -mavx -mf16c -mfma -mavx2 -mavx512f -mavx512cd -mavx512vl -mavx512bw -mavx512dq -Werror' get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'nv', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor', 'fujitsu']' customize Gnu95FCompiler Found executable /usr/bin/gfortran customize Gnu95FCompiler customize Gnu95FCompiler using build_ext building 'amp.fmodules' extension compiling C sources C compiler: x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC creating build/temp.linux-x86_64-3.9/build creating build/temp.linux-x86_64-3.9/build/src.linux-x86_64-3.9 creating build/temp.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp creating build/temp.linux-x86_64-3.9/build/src.linux-x86_64-3.9/build creating build/temp.linux-x86_64-3.9/build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9 creating build/temp.linux-x86_64-3.9/build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp compile options: '-Ibuild/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp -I/usr/lib/python3/dist-packages/numpy/core/include -Ibuild/src.linux-x86_64-3.9/numpy/distutils/include -I/usr/include/python3.9 -c' extra options: '-msse -msse2 -msse3' x86_64-linux-gnu-gcc: build/src.linux-x86_64-3.9/amp/fmodulesmodule.c x86_64-linux-gnu-gcc: build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp/fortranobject.c In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp/fortranobject.h:13, from build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:16: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp/fortranobject.h:13, from build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp/fortranobject.c:2: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c: In function ‘f2py_setup_neuralnetwork’: build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4019:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4019 | f2py_neuralnetwork_def[i_f2py++].func = min_fingerprints; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4020:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4020 | f2py_neuralnetwork_def[i_f2py++].func = max_fingerprints; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4021:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4021 | f2py_neuralnetwork_def[i_f2py++].func = no_layers_of_elements; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4022:41: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4022 | f2py_neuralnetwork_def[i_f2py++].func = no_nodes_of_elements; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c: In function ‘f2py_setup_fingerprint_props’: build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4065:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4065 | f2py_fingerprint_props_def[i_f2py++].func = num_fingerprints_of_elements; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4066:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4066 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprints; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4067:45: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4067 | f2py_fingerprint_props_def[i_f2py++].func = raveled_fingerprintprimes; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c: In function ‘f2py_setup_images_props’: build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4121:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4121 | f2py_images_props_def[i_f2py++].func = elements_numbers; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4122:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4122 | f2py_images_props_def[i_f2py++].func = num_images_atoms; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4123:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4123 | f2py_images_props_def[i_f2py++].func = atomic_numbers; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4124:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4124 | f2py_images_props_def[i_f2py++].func = num_neighbors; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4125:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4125 | f2py_images_props_def[i_f2py++].func = raveled_neighborlists; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4126:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4126 | f2py_images_props_def[i_f2py++].func = actual_energies; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4127:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4127 | f2py_images_props_def[i_f2py++].func = actual_forces; | ^ build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:4129:40: warning: assignment to ‘f2py_init_func’ {aka ‘void (*)(int *, long int *, void (*)(char *, long int *), int *)’} from incompatible pointer type ‘void (*)(int *, int *, void (*)(char *, int *), int *)’ [-Wincompatible-pointer-types] 4129 | f2py_images_props_def[i_f2py++].func = atomic_positions; | ^ At top level: build/src.linux-x86_64-3.9/amp/fmodulesmodule.c:144:12: warning: ‘f2py_size’ defined but not used [-Wunused-function] 144 | static int f2py_size(PyArrayObject* var, ...) | ^~~~~~~~~ compiling Fortran 90 module sources creating build/temp.linux-x86_64-3.9/amp Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops creating build/temp.linux-x86_64-3.9/amp/model creating build/temp.linux-x86_64-3.9/amp/descriptor compile options: '-Ibuild/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp -I/usr/lib/python3/dist-packages/numpy/core/include -Ibuild/src.linux-x86_64-3.9/numpy/distutils/include -I/usr/include/python3.9 -c' extra options: '-Jbuild/temp.linux-x86_64-3.9/amp -Ibuild/temp.linux-x86_64-3.9/amp' gfortran:f90: amp/model/neuralnetwork.f90 amp/model/neuralnetwork.f90:1379:2: 1379 | unraveled_dforce_dweights(layer)%twodarray(p, q) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model/neuralnetwork.f90:1380:2: 1380 | -1.0d0 * unraveled_dforce_dweights(layer)%twodarray(p, q) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model/neuralnetwork.f90:1767:2: 1767 | unraveled_dforce_dparameters(element)%slope = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model/neuralnetwork.f90:1768:2: 1768 | -1.0d0 * unraveled_dforce_dparameters(element)%slope | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model/neuralnetwork.f90:1802:2: 1802 | unraveled_dforce_dparameters(element)%weights(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] gfortran:f90: amp/descriptor/cutoffs.f90 gfortran:f90: amp/model.f90 amp/model.f90:219:2: 219 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:220:2: 220 | denergy_dparameters(j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:221:2: 221 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:269:2: 269 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:270:2: 270 | allocate(dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:271:2: 271 | selfindex)%twodarray(3, num_parameters)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:272:2: 272 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:273:2: 273 | do j = 1, num_parameters | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:274:2: 274 | dforces_dparameters(& | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:275:2: 275 | selfindex)%twodarray(i, j) = 0.0d0 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:276:2: 276 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:277:2: 277 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:278:2: 278 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:300:2: 300 | do p = 1, size(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:301:2: 301 | deallocate(dforces_dparameters(p)%twodarray) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:302:2: 302 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:303:2: 303 | deallocate(dforces_dparameters) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:323:2: 323 | doverfitloss_dparameters(j) = & | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:646:2: 646 | allocate(fplus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:647:2: 647 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:648:2: 648 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:649:2: 649 | fplus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:650:2: 650 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:651:2: 651 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:655:2: 655 | allocate(fminus(num_atoms, 3)) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:656:2: 656 | do selfindex = 1, num_atoms | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:657:2: 657 | do i = 1, 3 | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:658:2: 658 | fminus(selfindex, i) = amp_forces(selfindex, i) | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:659:2: 659 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] amp/model.f90:660:2: 660 | end do | 1 Warning: Nonconforming tab character at (1) [-Wtabs] compiling Fortran sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -g -O2 -ffile-prefix-map=/build/amp-8HGaLP/amp-0.6.1=. -fstack-protector-strong -fPIC -O3 -funroll-loops compile options: '-Ibuild/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp -I/usr/lib/python3/dist-packages/numpy/core/include -Ibuild/src.linux-x86_64-3.9/numpy/distutils/include -I/usr/include/python3.9 -c' extra options: '-Jbuild/temp.linux-x86_64-3.9/amp -Ibuild/temp.linux-x86_64-3.9/amp' gfortran:f90: amp/descriptor/gaussian.f90 gfortran:f90: amp/descriptor/zernike.f90 gfortran:f90: build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90 build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:141:63: 141 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 1 ...... 272 | subroutine f2pywrap_neuralnetwork_calculate_atomic_energy (calcula& | 2 Warning: Type mismatch in argument 'calculate_atomic_energy' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:202:9: 202 | &ers (calculate_datomicenergy_dparametersf2pywrap, symbol, len_of_f& | 1 ...... 325 | &ers (calculate_datomicenergy_dparametersf2pywrap, calculate_datomi& | 2 Warning: Type mismatch in argument 'calculate_datomicenergy_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:187:70: 187 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 1 ...... 312 | subroutine f2pywrap_neuralnetwork_calculate_denergy_dparameters_ (& | 2 Warning: Type mismatch in argument 'calculate_denergy_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:235:68: 235 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 1 ...... 354 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters (ca& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:220:69: 220 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 1 ...... 341 | subroutine f2pywrap_neuralnetwork_calculate_dforce_dparameters_ (c& | 2 Warning: Type mismatch in argument 'calculate_dforce_dparameters_' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:170:55: 170 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 1 ...... 297 | subroutine f2pywrap_neuralnetwork_calculate_force (calculate_force& | 2 Warning: Type mismatch in argument 'calculate_force' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:157:56: 157 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 1 ...... 286 | subroutine f2pywrap_neuralnetwork_calculate_force_ (calculate_forc& | 2 Warning: Type mismatch in argument 'calculate_force_' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:129:62: 129 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 1 ...... 262 | subroutine f2pywrap_neuralnetwork_calculate_image_energy (calculat& | 2 Warning: Type mismatch in argument 'calculate_image_energy' (REAL(8)/INTEGER(4)) between (1) and (2) build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:388:44: 388 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, r, rc,& | 1 ...... 412 | subroutine f2pywrap_cutoffs_cutoff_fxn (cutoff_fxnf2pywrap, cutoff& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:398:50: 398 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 1 ...... 421 | subroutine f2pywrap_cutoffs_cutoff_fxn_prime (cutoff_fxn_primef2py& | 2 Warning: Type mismatch in argument 'rc' (REAL(8)/CHARACTER(20)) between (1) and (2) build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:256:10: 256 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘max_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:256:10: 256 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘min_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:256:10: 256 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_layers_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:256:10: 256 | use neuralnetwork, only : min_fingerprints | 1 Warning: Unused module variable ‘no_nodes_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:533:10: 533 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘num_fingerprints_of_elements’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:533:10: 533 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprintprimes’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:533:10: 533 | use fingerprint_props, only : num_fingerprints_of_elements | 1 Warning: Unused module variable ‘raveled_fingerprints’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_energies’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘actual_forces’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_numbers’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘atomic_positions’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘elements_numbers’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_images_atoms’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘num_neighbors’ which has been explicitly imported at (1) [-Wunused-variable] build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90:810:10: 810 | use images_props, only : num_images | 1 Warning: Unused module variable ‘raveled_neighborlists’ which has been explicitly imported at (1) [-Wunused-variable] /usr/bin/gfortran -Wall -g -Wall -g -shared -Wl,-z,relro -Wl,-z,now -shared build/temp.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp/fmodulesmodule.o build/temp.linux-x86_64-3.9/build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp/fortranobject.o build/temp.linux-x86_64-3.9/amp/model/neuralnetwork.o build/temp.linux-x86_64-3.9/amp/descriptor/cutoffs.o build/temp.linux-x86_64-3.9/amp/model.o build/temp.linux-x86_64-3.9/amp/descriptor/gaussian.o build/temp.linux-x86_64-3.9/amp/descriptor/zernike.o build/temp.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.o -L/usr/lib/gcc/x86_64-linux-gnu/11 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -o /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/fmodules.cpython-39-x86_64-linux-gnu.so ########### EXT COMPILER OPTIMIZATION ########### Platform : Architecture: x64 Compiler : gcc CPU baseline : Requested : 'min' Enabled : SSE SSE2 SSE3 Flags : -msse -msse2 -msse3 Extra checks: none CPU dispatch : Requested : 'max -xop -fma4' Enabled : SSSE3 SSE41 POPCNT SSE42 AVX F16C FMA3 AVX2 AVX512F AVX512CD AVX512_KNL AVX512_KNM AVX512_SKX AVX512_CLX AVX512_CNL AVX512_ICL Generated : none CCompilerOpt.cache_flush[809] : write cache to path -> /build/amp-8HGaLP/amp-0.6.1/build/temp.linux-x86_64-3.9/ccompiler_opt_cache_ext.py debian/rules override_dh_auto_test make[1]: Entering directory '/build/amp-8HGaLP/amp-0.6.1' PYBUILD_SYSTEM=custom \ PYBUILD_TEST_ARGS="cd {build_dir}; {interpreter} /usr/bin/nosetests3 tests" \ dh_auto_test make[1]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary-arch dh binary-arch --with python3 --buildsystem=pybuild dh_testroot -a -O--buildsystem=pybuild dh_prep -a -O--buildsystem=pybuild dh_auto_install --destdir=debian/python3-amp/ -a -O--buildsystem=pybuild I: pybuild base:237: /usr/bin/python3.10 setup.py install --root /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp /usr/lib/python3.10/distutils/dist.py:274: UserWarning: Unknown distribution option: 'install_requires' warnings.warn(msg) running install running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "amp.fmodules" sources f2py options: [] adding 'build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.10/build/src.linux-x86_64-3.10/amp' to include_dirs. adding 'build/src.linux-x86_64-3.10/amp/fmodules-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_py running build_ext customize UnixCCompiler customize UnixCCompiler using build_ext CCompilerOpt.__init__[765] : load cache from file -> /build/amp-8HGaLP/amp-0.6.1/build/temp.linux-x86_64-3.10/ccompiler_opt_cache_ext.py CCompilerOpt.__init__[776] : hit the file cache get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'nv', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor', 'fujitsu']' customize Gnu95FCompiler Found executable /usr/bin/gfortran customize Gnu95FCompiler customize Gnu95FCompiler using build_ext running install_lib creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10 creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/analysis.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/utilities.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor/analysis.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor/bispectrum.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor/cutoffs.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor/example.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor/gaussian.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/descriptor/zernike.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/regression copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/regression/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/regression creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/model copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/model/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/model copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/model/__main__.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/model copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/model/neuralnetwork.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/model copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/model/tflow.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/model copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/VERSION -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/amp/fmodules.cpython-310-x86_64-linux-gnu.so -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/fmodules.cpython-310-x86_64-linux-gnu.so -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.10_amp/build/fmodules.cpython-39-x86_64-linux-gnu.so -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/__init__.py to __init__.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/analysis.py to analysis.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/utilities.py to utilities.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor/__init__.py to __init__.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor/analysis.py to analysis.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor/bispectrum.py to bispectrum.cpython-310.pyc /usr/lib/python3.10/dist-packages/amp/descriptor/bispectrum.py:398: SyntaxWarning: "is" with a literal. Did you mean "=="? /usr/lib/python3.10/dist-packages/amp/descriptor/bispectrum.py:400: SyntaxWarning: "is" with a literal. Did you mean "=="? byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor/cutoffs.py to cutoffs.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor/example.py to example.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor/gaussian.py to gaussian.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/descriptor/zernike.py to zernike.cpython-310.pyc /usr/lib/python3.10/dist-packages/amp/descriptor/zernike.py:569: SyntaxWarning: "is" with a literal. Did you mean "=="? /usr/lib/python3.10/dist-packages/amp/descriptor/zernike.py:571: SyntaxWarning: "is" with a literal. Did you mean "=="? byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/regression/__init__.py to __init__.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/model/__init__.py to __init__.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/model/__main__.py to __main__.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/model/neuralnetwork.py to neuralnetwork.cpython-310.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp/model/tflow.py to tflow.cpython-310.pyc running install_egg_info Writing /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.10/dist-packages/amp_atomistics-0.6.1.egg-info running install_clib customize UnixCCompiler ########### EXT COMPILER OPTIMIZATION ########### Platform : Architecture: x64 Compiler : gcc CPU baseline : Requested : 'min' Enabled : SSE SSE2 SSE3 Flags : -msse -msse2 -msse3 Extra checks: none CPU dispatch : Requested : 'max -xop -fma4' Enabled : SSSE3 SSE41 POPCNT SSE42 AVX F16C FMA3 AVX2 AVX512F AVX512CD AVX512_KNL AVX512_KNM AVX512_SKX AVX512_CLX AVX512_CNL AVX512_ICL Generated : none CCompilerOpt.cache_flush[809] : write cache to path -> /build/amp-8HGaLP/amp-0.6.1/build/temp.linux-x86_64-3.10/ccompiler_opt_cache_ext.py I: pybuild pybuild:311: cp -r '/build/amp-8HGaLP/amp-0.6.1/tests' '/build/amp-8HGaLP/amp-0.6.1/debian/python3-amp//usr/lib/python3.10/dist-packages/amp' I: pybuild base:237: /usr/bin/python3 setup.py install --root /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp /usr/lib/python3.9/distutils/dist.py:274: UserWarning: Unknown distribution option: 'install_requires' warnings.warn(msg) running install running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "amp.fmodules" sources f2py options: [] adding 'build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/amp' to include_dirs. adding 'build/src.linux-x86_64-3.9/amp/fmodules-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_py running build_ext customize UnixCCompiler customize UnixCCompiler using build_ext CCompilerOpt.__init__[765] : load cache from file -> /build/amp-8HGaLP/amp-0.6.1/build/temp.linux-x86_64-3.9/ccompiler_opt_cache_ext.py CCompilerOpt.__init__[776] : hit the file cache get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'nv', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor', 'fujitsu']' customize Gnu95FCompiler Found executable /usr/bin/gfortran customize Gnu95FCompiler customize Gnu95FCompiler using build_ext running install_lib creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9 creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/analysis.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/utilities.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor/analysis.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor/bispectrum.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor/cutoffs.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor/example.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor/gaussian.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/descriptor/zernike.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/regression copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/regression/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/regression creating /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/model copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/model/__init__.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/model copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/model/__main__.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/model copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/model/neuralnetwork.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/model copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/model/tflow.py -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/model copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/VERSION -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp copying /build/amp-8HGaLP/amp-0.6.1/.pybuild/cpython3_3.9_amp/build/amp/fmodules.cpython-39-x86_64-linux-gnu.so -> /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/__init__.py to __init__.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/analysis.py to analysis.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/utilities.py to utilities.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor/__init__.py to __init__.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor/analysis.py to analysis.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor/bispectrum.py to bispectrum.cpython-39.pyc /usr/lib/python3.9/dist-packages/amp/descriptor/bispectrum.py:398: SyntaxWarning: "is" with a literal. Did you mean "=="? /usr/lib/python3.9/dist-packages/amp/descriptor/bispectrum.py:400: SyntaxWarning: "is" with a literal. Did you mean "=="? byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor/cutoffs.py to cutoffs.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor/example.py to example.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor/gaussian.py to gaussian.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/descriptor/zernike.py to zernike.cpython-39.pyc /usr/lib/python3.9/dist-packages/amp/descriptor/zernike.py:569: SyntaxWarning: "is" with a literal. Did you mean "=="? /usr/lib/python3.9/dist-packages/amp/descriptor/zernike.py:571: SyntaxWarning: "is" with a literal. Did you mean "=="? byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/regression/__init__.py to __init__.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/model/__init__.py to __init__.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/model/__main__.py to __main__.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/model/neuralnetwork.py to neuralnetwork.cpython-39.pyc byte-compiling /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp/model/tflow.py to tflow.cpython-39.pyc running install_egg_info Writing /build/amp-8HGaLP/amp-0.6.1/debian/python3-amp/usr/lib/python3.9/dist-packages/amp_atomistics-0.6.1.egg-info running install_clib customize UnixCCompiler ########### EXT COMPILER OPTIMIZATION ########### Platform : Architecture: x64 Compiler : gcc CPU baseline : Requested : 'min' Enabled : SSE SSE2 SSE3 Flags : -msse -msse2 -msse3 Extra checks: none CPU dispatch : Requested : 'max -xop -fma4' Enabled : SSSE3 SSE41 POPCNT SSE42 AVX F16C FMA3 AVX2 AVX512F AVX512CD AVX512_KNL AVX512_KNM AVX512_SKX AVX512_CLX AVX512_CNL AVX512_ICL Generated : none CCompilerOpt.cache_flush[809] : write cache to path -> /build/amp-8HGaLP/amp-0.6.1/build/temp.linux-x86_64-3.9/ccompiler_opt_cache_ext.py I: pybuild pybuild:311: cp -r '/build/amp-8HGaLP/amp-0.6.1/tests' '/build/amp-8HGaLP/amp-0.6.1/debian/python3-amp//usr/lib/python3.9/dist-packages/amp' dh_install -a -O--buildsystem=pybuild dh_installdocs -a -O--buildsystem=pybuild dh_installchangelogs -a -O--buildsystem=pybuild debian/rules override_dh_python3 make[1]: Entering directory '/build/amp-8HGaLP/amp-0.6.1' dh_python3 W: dh_python3 fs:113: Paths differ: debian/python3-amp/usr/lib/python3.9/dist-packages/amp/fmodules.cpython-39-x86_64-linux-gnu.so and debian/python3-amp/usr/lib/python3/dist-packages/amp/fmodules.cpython-39-x86_64-linux-gnu.so W: dh_python3 fs:113: Paths differ: debian/python3-amp/usr/lib/python3.10/dist-packages/amp/fmodules.cpython-310-x86_64-linux-gnu.so and debian/python3-amp/usr/lib/python3/dist-packages/amp/fmodules.cpython-310-x86_64-linux-gnu.so I: dh_python3 tools:114: replacing shebang in debian/python3-amp/usr/bin/amp-compress I: dh_python3 tools:114: replacing shebang in debian/python3-amp/usr/bin/amp-plotconvergence dh_numpy3 dh_fixperms make[1]: Leaving directory '/build/amp-8HGaLP/amp-0.6.1' dh_installinit -a -O--buildsystem=pybuild dh_perl -a -O--buildsystem=pybuild dh_link -a -O--buildsystem=pybuild dh_strip_nondeterminism -a -O--buildsystem=pybuild dh_compress -a -O--buildsystem=pybuild dh_fixperms -a -O--buildsystem=pybuild dh_missing -a -O--buildsystem=pybuild dh_strip -a -O--buildsystem=pybuild dh_makeshlibs -a -O--buildsystem=pybuild dh_shlibdeps -a -O--buildsystem=pybuild dh_installdeb -a -O--buildsystem=pybuild dh_gencontrol -a -O--buildsystem=pybuild dpkg-gencontrol: warning: Breaks field of package python3-amp: substitution variable ${python3:Breaks} used, but is not defined dpkg-gencontrol: warning: package python3-amp: substitution variable ${python3:Provides} unused, but is defined dpkg-gencontrol: warning: package python3-amp: substitution variable ${python3:Versions} unused, but is defined dpkg-gencontrol: warning: Breaks field of package python3-amp: substitution variable ${python3:Breaks} used, but is not defined dpkg-gencontrol: warning: package python3-amp: substitution variable ${python3:Provides} unused, but is defined dpkg-gencontrol: warning: package python3-amp: substitution variable ${python3:Versions} unused, but is defined dh_md5sums -a -O--buildsystem=pybuild dh_builddeb -a -O--buildsystem=pybuild dpkg-deb: building package 'python3-amp' in '../python3-amp_0.6.1-1+b5_amd64.deb'. dpkg-deb: building package 'python3-amp-dbgsym' in '../python3-amp-dbgsym_0.6.1-1+b5_amd64.deb'. dpkg-genbuildinfo --build=any dpkg-genchanges --build=any >../amp_0.6.1-1+b5_amd64.changes dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) I: running special hook: sync-out /build/amp-8HGaLP /tmp/amp-0.6.1-1+b5x39ybzoj I: cleaning package lists and apt cache... I: creating tarball... I: done I: removing tempdir /tmp/mmdebstrap.Fk6a5T1CHF... I: success in 1953.0361 seconds md5: Value of 'md5' differs for python3-amp-dbgsym_0.6.1-1+b5_amd64.deb md5: Size differs for python3-amp-dbgsym_0.6.1-1+b5_amd64.deb md5: Value of 'md5' differs for python3-amp_0.6.1-1+b5_amd64.deb md5: Size differs for python3-amp_0.6.1-1+b5_amd64.deb sha1: Value of 'sha1' differs for python3-amp-dbgsym_0.6.1-1+b5_amd64.deb sha1: Size differs for python3-amp-dbgsym_0.6.1-1+b5_amd64.deb sha1: Value of 'sha1' differs for python3-amp_0.6.1-1+b5_amd64.deb sha1: Size differs for python3-amp_0.6.1-1+b5_amd64.deb sha256: Value of 'sha256' differs for python3-amp-dbgsym_0.6.1-1+b5_amd64.deb sha256: Size differs for python3-amp-dbgsym_0.6.1-1+b5_amd64.deb sha256: Value of 'sha256' differs for python3-amp_0.6.1-1+b5_amd64.deb sha256: Size differs for python3-amp_0.6.1-1+b5_amd64.deb Checksums: FAIL Cannot generate diffoscope for python3-amp-dbgsym_0.6.1-1+b5_amd64.deb: Cannot find URL: http://snapshot.notset.fr/mr/file/17710d8e2ffdebeded311dd61c44fc757e3ba0ee5ca23236b6e077c8a6a47fd6/download diffoscope run passed