Mock Version: 5.0 Mock Version: 5.0 Mock Version: 5.0 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target riscv64 --nodeps /builddir/build/SPECS/mrchem.spec'], chrootPath='/var/lib/mock/f41-build-830124-156290/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=604800uid=982gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.qt5l1v8f:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueprintOutput=False) Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.qt5l1v8f:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'] Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '1d21dea1723640c5ae9bb162b48a6380', '-D', '/var/lib/mock/f41-build-830124-156290/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.qt5l1v8f:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;\\007"', '--setenv=PS1= \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target riscv64 --nodeps /builddir/build/SPECS/mrchem.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False Building target platforms: riscv64 Building for target riscv64 setting SOURCE_DATE_EPOCH=1721260800 Wrote: /builddir/build/SRPMS/mrchem-1.1.3-6.fc41.src.rpm Child return code was: 0 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target riscv64 --nodeps /builddir/build/SPECS/mrchem.spec'], chrootPath='/var/lib/mock/f41-build-830124-156290/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=604800uid=982gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.qt5l1v8f:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueprintOutput=False) Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.qt5l1v8f:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'] Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '5dc9593f22bf4869bc1b1c8b4ae6c5ad', '-D', '/var/lib/mock/f41-build-830124-156290/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.qt5l1v8f:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;\\007"', '--setenv=PS1= \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target riscv64 --nodeps /builddir/build/SPECS/mrchem.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False Building target platforms: riscv64 Building for target riscv64 setting SOURCE_DATE_EPOCH=1721260800 Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.AOyxQb + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + test -d /builddir/build/BUILD/mrchem-1.1.3-build + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/mrchem-1.1.3-build + /usr/bin/rm -rf /builddir/build/BUILD/mrchem-1.1.3-build + /usr/bin/mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build + /usr/bin/mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build/SPECPARTS + RPM_EC=0 ++ jobs -p + exit 0 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.5XmAJJ + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + cd /builddir/build/BUILD/mrchem-1.1.3-build + rm -rf mrchem-1.1.3 + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/mrchem-1.1.3.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd mrchem-1.1.3 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + echo 'Patch #0 (mrchem-1.0.2-eigen3.patch):' Patch #0 (mrchem-1.0.2-eigen3.patch): + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .eigen3 --fuzz=0 patching file external/upstream/fetch_eigen3.cmake Patch #1 (mrchem-1.0.2-pythonpath.patch): + echo 'Patch #1 (mrchem-1.0.2-pythonpath.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .pythonpath --fuzz=0 patching file python/mrchem.in Patch #2 (mrchem-1.1.0-rpath.patch): + echo 'Patch #2 (mrchem-1.1.0-rpath.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .rpath --fuzz=0 patching file src/CMakeLists.txt Patch #3 (mrchem-1.1.2-object.patch): + echo 'Patch #3 (mrchem-1.1.2-object.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .object --fuzz=0 patching file src/CMakeLists.txt + rm -rf external/catch/ + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.sP6XLE + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + CFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd mrchem-1.1.3 + export 'CXXFLAGS=-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2' + CXXFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2' + CFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2' + export CXXFLAGS + FFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + /usr/bin/cmake -S . -B redhat-linux-build -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_DO_STRIP:BOOL=OFF -DCMAKE_INSTALL_PREFIX:PATH=/usr -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -DENABLE_ARCH_FLAGS=OFF -DENABLE_OPENMP=ON -- The CXX compiler identification is GNU 14.1.1 -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- CXXFLAGS is set to '-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2'. -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") found components: CXX -- Found nlohmann_json: /usr/include;/usr/include (found version 3.11.3) -- Found XCFun: /usr/lib64/libxcfun.so.2 (found version 2.1.1) -- Using Eigen3: /usr (version 3.4.0) -- MRCPP built with OpenMP support (found version "4.5") -- Found MRCPP: /usr/lib64/libmrcpp.so.1 (found version 1.5.0) -- Found Python3: /usr/bin/python3.13 (found version "3.13.0") found components: Interpreter -- Setting (unspecified) option PYMOD_INSTALL_LIBDIR: python -- Found packages: * Eigen3 (required version >= 3.3) * OpenMP * Python3 -- Configuring done (3.4s) -- Generating done (0.3s) CMake Warning: Manually-specified variables were not used by the project: CMAKE_C_FLAGS_RELEASE CMAKE_Fortran_FLAGS_RELEASE CMAKE_INSTALL_DO_STRIP INCLUDE_INSTALL_DIR LIB_INSTALL_DIR LIB_SUFFIX SHARE_INSTALL_PREFIX SYSCONF_INSTALL_DIR -- Build files have been written to: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build + /usr/bin/cmake --build redhat-linux-build -j64 --verbose Change Dir: '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' Run Build Command(s): /usr/bin/cmake -E env VERBOSE=1 /usr/bin/gmake -f Makefile -j64 /usr/bin/cmake -S/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 -B/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/CMakeFiles /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build//CMakeFiles/progress.marks /usr/bin/gmake -f CMakeFiles/Makefile2 all gmake[1]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' /usr/bin/gmake -f CMakeFiles/mrchem-info.dir/build.make CMakeFiles/mrchem-info.dir/depend /usr/bin/gmake -f python/CMakeFiles/mrchem-python.dir/build.make python/CMakeFiles/mrchem-python.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/CMakeFiles/mrchem-info.dir/DependInfo.cmake "--color=" gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/python /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/python/CMakeFiles/mrchem-python.dir/DependInfo.cmake "--color=" gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' /usr/bin/gmake -f CMakeFiles/mrchem-info.dir/build.make CMakeFiles/mrchem-info.dir/build /usr/bin/gmake -f python/CMakeFiles/mrchem-python.dir/build.make python/CMakeFiles/mrchem-python.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 2%] Generating version.h [ 2%] Copy /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python/mrchem to /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/lib/python/mrchem cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/python && /usr/bin/cmake -E copy /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python/mrchem/*.py /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/lib/python/mrchem cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/cmake/custom && /usr/bin/cmake -DINPUT_DIR=/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 -DTARGET_DIR=/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -DCMAKE_SYSTEM=Linux-6.1.55 -DCMAKE_SYSTEM_PROCESSOR=riscv64 -DCMAKE_GENERATOR=Unix\ Makefiles -DCMAKE_BUILD_TYPE=Release -DCMAKE_CXX_COMPILER=/usr/bin/g++ -DCMAKE_CXX_COMPILER_VERSION=14.1.1 -DMRCHEM_VERSION=1.1.3 -DMW_FILTER_SOURCE_DIR= -DMW_FILTER_INSTALL_DIR= -P /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/cmake/custom/binary-info.cmake -- MRChem version: 1.1.3 -- Git branch: unknown -- Git last commit hash: unknown -- Git last commit author: unknown -- Git last commit date: unknown cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/python && /usr/bin/cmake -E copy_directory /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python/mrchem/input_parser /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/lib/python/mrchem/input_parser /usr/bin/cmake -E touch_nocreate /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/version.h.in gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 2%] Built target mrchem-python [ 2%] Built target mrchem-info /usr/bin/gmake -f src/CMakeFiles/mrchem.dir/build.make src/CMakeFiles/mrchem.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src/CMakeFiles/mrchem.dir/DependInfo.cmake "--color=" gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' /usr/bin/gmake -f src/CMakeFiles/mrchem.dir/build.make src/CMakeFiles/mrchem.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 3%] Building CXX object src/CMakeFiles/mrchem.dir/driver.cpp.o [ 4%] Building CXX object src/CMakeFiles/mrchem.dir/mrenv.cpp.o [ 4%] Building CXX object src/CMakeFiles/mrchem.dir/parallel.cpp.o [ 6%] Building CXX object src/CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o [ 6%] Building CXX object src/CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/driver.cpp.o -MF CMakeFiles/mrchem.dir/driver.cpp.o.d -o CMakeFiles/mrchem.dir/driver.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong 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-Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/mrenv.cpp.o -MF CMakeFiles/mrchem.dir/mrenv.cpp.o.d -o CMakeFiles/mrchem.dir/mrenv.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrenv.cpp [ 9%] Building CXX object src/CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o -MF CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o.d -o CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/HydrogenFunction.cpp [ 10%] Building CXX object src/CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun 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src/CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/analyticfunctions/CUBEfunction.cpp.o -MF CMakeFiles/mrchem.dir/analyticfunctions/CUBEfunction.cpp.o.d -o CMakeFiles/mrchem.dir/analyticfunctions/CUBEfunction.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/CUBEfunction.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o -MF CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o.d -o CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearGradientFunction.cpp [ 12%] Building CXX object src/CMakeFiles/mrchem.dir/environment/Permittivity.cpp.o [ 13%] Building CXX object src/CMakeFiles/mrchem.dir/environment/SCRF.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 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-Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/qmfunction_utils.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/qmfunction_utils.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/qmfunction_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/qmfunction_utils.cpp [ 32%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/QMDerivative.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build 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src/CMakeFiles/mrchem.dir/qmoperators/QMSpin.cpp.o [ 35%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/qmoperator_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o -MF 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src/CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/QMPotential.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 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src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o [ 46%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o [ 48%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ReactionPotential.cpp.o [ 48%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong 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-Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotential.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotential.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotential.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotential.cpp [ 50%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o [ 50%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o [ 51%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && 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/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp [ 52%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 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-specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotentialD1.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotentialD2.cpp [ 53%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun 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src/CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o [ 54%] Building CXX object src/CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 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-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/KAIN.cpp [ 58%] Building CXX object src/CMakeFiles/mrchem.dir/utils/math_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build 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src/CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o.d -o 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CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o.d -o CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp [ 61%] Building CXX object src/CMakeFiles/mrchem.dir/utils/Bank.cpp.o [ 62%] Building CXX object src/CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 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-specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/tensor/RankTwoOperator.cpp.o -MF CMakeFiles/mrchem.dir/tensor/RankTwoOperator.cpp.o.d -o CMakeFiles/mrchem.dir/tensor/RankTwoOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankTwoOperator.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o -MF CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o.d -o CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/tensor_utils.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/print_utils.cpp.o -MF CMakeFiles/mrchem.dir/utils/print_utils.cpp.o.d -o CMakeFiles/mrchem.dir/utils/print_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/print_utils.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/math_utils.cpp.o -MF CMakeFiles/mrchem.dir/utils/math_utils.cpp.o.d -o CMakeFiles/mrchem.dir/utils/math_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/math_utils.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o -MF CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o.d -o CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o -MF CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o.d -o CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/RRMaximizer.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/Bank.cpp.o -MF CMakeFiles/mrchem.dir/utils/Bank.cpp.o.d -o CMakeFiles/mrchem.dir/utils/Bank.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/Bank.cpp [ 63%] Building CXX object src/CMakeFiles/mrchem.dir/utils/gto_utils/AOBasis.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/gto_utils/AOBasis.cpp.o -MF CMakeFiles/mrchem.dir/utils/gto_utils/AOBasis.cpp.o.d -o CMakeFiles/mrchem.dir/utils/gto_utils/AOBasis.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/gto_utils/AOBasis.cpp [ 64%] Building CXX object src/CMakeFiles/mrchem.dir/utils/gto_utils/AOContraction.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/gto_utils/AOContraction.cpp.o -MF CMakeFiles/mrchem.dir/utils/gto_utils/AOContraction.cpp.o.d -o CMakeFiles/mrchem.dir/utils/gto_utils/AOContraction.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/gto_utils/AOContraction.cpp [ 65%] Building CXX object src/CMakeFiles/mrchem.dir/utils/gto_utils/Intgrl.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/gto_utils/Intgrl.cpp.o -MF CMakeFiles/mrchem.dir/utils/gto_utils/Intgrl.cpp.o.d -o CMakeFiles/mrchem.dir/utils/gto_utils/Intgrl.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/gto_utils/Intgrl.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp: In constructor ‘mrchem::OrbitalIterator::OrbitalIterator(mrchem::OrbitalVector&, bool)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:45:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 45 | for (int i = 0; i < this->orbitals->size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp: In member function ‘bool mrchem::OrbitalIterator::bank_next(int)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:207:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 207 | if (this->iter >= this->orbitals->size()) { | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:220:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 220 | for (int i = 0; i < this->orbitals->size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:229:13: warning: unused variable ‘tag’ [-Wunused-variable] 229 | int tag = i; | ^~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:213:9: warning: unused variable ‘my_rank’ [-Wunused-variable] 213 | int my_rank = mpi::orb_rank; | ^~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:214:9: warning: unused variable ‘max_rank’ [-Wunused-variable] 214 | int max_rank = mpi::orb_size; | ^~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.h:34, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/MomentumOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/qmoperator_utils.cpp:35: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/tensor_utils.cpp:28: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/density_utils.cpp: In function ‘void mrchem::density::compute_local_X(double, mrchem::Density&, mrchem::OrbitalVector&, mrchem::OrbitalVector&, DensityType)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/density_utils.cpp:173:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 173 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/density_utils.cpp: In function ‘void mrchem::density::compute_local_XY(double, mrchem::Density&, mrchem::OrbitalVector&, mrchem::OrbitalVector&, mrchem::OrbitalVector&, DensityType)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/density_utils.cpp:199:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 199 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/SpinLDA.cpp: In member function ‘virtual void mrdft::SpinLDA::preprocess(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/SpinLDA.cpp:102:24: warning: comparison of integer expressions of different signedness: ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 102 | if (inp_vec.size() != 2 * this->order) MSG_ERROR("Invalid input length"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ [ 66%] Building CXX object src/CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o -MF CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o.d -o CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/gto_utils/OrbitalExp.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp: In member function ‘double mrchem::SCFSolver::getUpdate(const std::vector&, int, bool) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp:131:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | if (i < 1 or i > vec.size()) MSG_ERROR("Invalid argument"); | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.cpp:29: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp: In member function ‘void mrchem::SCFSolver::printOrbitals(const mrchem::DoubleVector&, const mrchem::DoubleVector&, mrchem::OrbitalVector&, int, bool) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp:196:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 196 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:29: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp:195:10: warning: variable ‘conv_tot’ set but not used [-Wunused-but-set-variable] 195 | bool conv_tot = true; | ^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp: In member function ‘void mrchem::SCFSolver::printConvergence(bool, const std::string&) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp:278:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 278 | for (int i = 0; i < nIter; i++) printConvergenceRow(i); | ~~^~~~~~~ [ 67%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/chk.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.cpp:26: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankTwoOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankTwoOperator.cpp:26: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.cpp:26: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.h:29, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp:26: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearFunction.cpp: In member function ‘virtual double mrchem::NuclearFunction::evalf(mrcpp::Coord<3>&) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearFunction.cpp:40:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 40 | for (int i = 0; i < this->nuclei.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearFunction.cpp: In member function ‘virtual bool mrchem::NuclearFunction::isZeroOnInterval(const double*, const double*) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearFunction.cpp:65:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 65 | for (int i = 0; i < this->nuclei.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/parallel.cpp: In function ‘void mrchem::mpi::distribute(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/parallel.cpp:237:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 237 | for (int i = 0; i < Phi.size(); i++) Phi[i].setRankID(i % mpi::orb_size); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/parallel.cpp: In function ‘mrchem::OrbitalChunk mrchem::mpi::get_my_chunk(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/parallel.cpp:250:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 250 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/qmfunction_utils.cpp: In function ‘void mrchem::qmfunction::linear_combination(mrchem::QMFunction&, const mrchem::ComplexVector&, mrchem::QMFunctionVector&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/qmfunction_utils.cpp:187:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 187 | for (int i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/LDA.cpp: In member function ‘virtual void mrdft::LDA::preprocess(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/LDA.cpp:95:24: warning: comparison of integer expressions of different signedness: ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} and ‘const int’ [-Wsign-compare] 95 | if (inp_vec.size() != this->order) MSG_ERROR("Invalid input length"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp: In function ‘std::vector*> mrdft::xc_utils::fetch_nodes(int, mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp:129:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 129 | for (auto i = 0; i < inp_trees.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp: In function ‘Eigen::MatrixXd mrdft::xc_utils::compress_nodes(std::vector*>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp:151:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 151 | for (auto i = 0; i < nNodes; i++) { | ~~^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp: In function ‘void mrdft::xc_utils::expand_nodes(std::vector*>&, Eigen::MatrixXd&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp:173:25: warning: comparison of integer expressions of different signedness: ‘Eigen::Index’ {aka ‘long int’} and ‘long unsigned int’ [-Wsign-compare] 173 | if (inp_data.rows() != nFuncs) MSG_ERROR("Size mismatch " << inp_data.rows() << " vs " << nFuncs); | ~~~~~~~~~~~~~~~~^~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp:175:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 175 | for (auto i = 0; i < nFuncs; i++) { | ~~^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/SpinGGA.cpp: In member function ‘virtual void mrdft::SpinGGA::preprocess(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/SpinGGA.cpp:111:24: warning: comparison of integer expressions of different signedness: ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 111 | if (inp_vec.size() != 2 * this->order) MSG_ERROR("Invalid input length"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/PositionOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/RRMaximizer.cpp:35: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 68%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/core.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/core.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/core.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/core.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/GGA.cpp: In member function ‘virtual void mrdft::GGA::preprocess(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/GGA.cpp:103:24: warning: comparison of integer expressions of different signedness: ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} and ‘const int’ [-Wsign-compare] 103 | if (inp_vec.size() != this->order) MSG_ERROR("Invalid input length"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.h:34, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/GroundStateSolver.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/GroundStateSolver.cpp:29: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/print_utils.cpp: In function ‘void mrchem::print_utils::json(int, const nlohmann::json_abi_v3_11_3::json&, bool)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/print_utils.cpp:124:31: warning: comparison of integer expressions of different signedness: ‘std::__cxx11::basic_string::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 124 | if (item.key().size() > lshift) lshift = item.key().size(); | ~~~~~~~~~~~~~~~~~~^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.cpp: In member function ‘void mrchem::NuclearOperator::setupLocalPotential(mrchem::NuclearFunction&, const mrchem::Nuclei&, double) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.cpp:117:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 117 | for (int k = 0; k < nucs.size(); k++) { | ~~^~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp: In member function ‘int mrchem::NonlinearMaximizer::maximize()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:159:28: warning: unused variable ‘rr’ [-Wunused-variable] 159 | double rr = r.transpose() * r; | ^~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:147:29: warning: unused variable ‘Hij’ [-Wunused-variable] 147 | double pAp, Hij; | ^~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/KAIN.cpp: In member function ‘virtual void mrchem::KAIN::setupLinearSystem()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/KAIN.cpp:88:46: warning: comparison of integer expressions of different signedness: ‘std::vector::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 88 | double alpha = (this->scaling.size() == nOrbitals) ? scaling[n] : 1.0; | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ [ 69%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp:29: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Permittivity.cpp: In member function ‘void mrchem::Permittivity::printParameters() const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Permittivity.cpp:84:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 84 | for (auto i = 0; i < coords.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:83:13: warning: variable ‘lastICG’ set but not used [-Wunused-but-set-variable] 83 | int lastICG = 0; | ^~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:50:12: warning: unused variable ‘j’ [-Wunused-variable] 50 | int i, j, k, l, iter, dcount; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:50:15: warning: unused variable ‘k’ [-Wunused-variable] 50 | int i, j, k, l, iter, dcount; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:50:18: warning: unused variable ‘l’ [-Wunused-variable] 50 | int i, j, k, l, iter, dcount; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:51:16: warning: unused variable ‘h2’ [-Wunused-variable] 51 | double mu, h2; | ^~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:69:12: warning: unused variable ‘lamb1’ [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:69:19: warning: unused variable ‘sq’ [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:69:23: warning: unused variable ‘a’ [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:69:26: warning: unused variable ‘c’ [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘void mrchem::RankZeroOperator::setup(double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:204:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 204 | for (int j = 0; j < i.size(); j++) { i[j]->setup(prec); } | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘void mrchem::RankZeroOperator::clear()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:212:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 212 | for (int j = 0; j < i.size(); j++) { i[j]->clear(); } | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘mrchem::OrbitalVector mrchem::RankZeroOperator::operator()(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:289:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 289 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘mrchem::OrbitalVector mrchem::RankZeroOperator::dagger(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:309:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 309 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ [ 70%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/mw.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotentialD1.cpp:29: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp: In member function ‘virtual void mrchem::XCPotential::setup(double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp:97:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 97 | for (auto i = 0; i < this->potentials.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp: In member function ‘mrchem::Density& mrchem::XCPotential::getDensity(DensityType, int)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp:131:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | if (dens_idx > densities.size()) MSG_ABORT("Invalid density index"); | ~~~~~~~~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘mrchem::Orbital mrchem::RankZeroOperator::applyOperTerm(int, mrchem::Orbital)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:472:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 472 | if (n >= this->oper_exp.size()) MSG_ABORT("Invalid oper term"); | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘mrchem::Orbital mrchem::RankZeroOperator::daggerOperTerm(int, mrchem::Orbital)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:484:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 484 | if (n >= this->oper_exp.size()) MSG_ABORT("Invalid oper term"); | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘mrchem::ComplexDouble mrchem::RankZeroOperator::traceOperTerm(int, const mrchem::Nuclei&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:497:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 497 | if (n >= this->oper_exp.size()) MSG_ABORT("Invalid oper term"); | ~~^~~~~~~~~~~~~~~~~~~~~~~~ [ 71%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp [ 72%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/cube.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.cpp: In constructor ‘mrchem::ZoraOperator::ZoraOperator(mrchem::QMPotential&, double, double, bool)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.cpp:65:10: warning: unused variable ‘plevel’ [-Wunused-variable] 65 | auto plevel = Printer::getPrintLevel(); | ^~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/KAIN.cpp: In member function ‘virtual void mrchem::KAIN::expandSolution(double, mrchem::OrbitalVector&, mrchem::OrbitalVector&, mrchem::ComplexMatrix*, mrchem::ComplexMatrix*)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/KAIN.cpp:186:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 186 | for (int i = 0; i < totCoefs.size(); i++) coefsVec(i) = totCoefs[i]; | ~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp: In member function ‘void mrchem::Accelerator::push_back(mrchem::OrbitalVector&, mrchem::OrbitalVector&, mrchem::ComplexMatrix*, mrchem::ComplexMatrix*)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp:131:31: warning: comparison of integer expressions of different signedness: ‘std::deque, -1, -1> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 131 | if (this->fock.size() != nHistory) MSG_ERROR("Size mismatch orbitals vs matrices"); | ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Factory.h:31, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Factory.cpp:26: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp: In member function ‘void mrchem::Accelerator::solveLinearSystem()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp:231:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector, -1, -1> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 231 | for (int n = 0; n < this->A.size(); n++) { | ~~^~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotentialD2.cpp:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp:34: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp: In member function ‘virtual void mrchem::ExchangePotentialD2::setupBank()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp:67:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 67 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp:71:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 71 | for (int i = 0; i < X.size(); i++) { | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp:75:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 75 | for (int i = 0; i < Y.size(); i++) { | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp: In member function ‘virtual mrchem::Orbital mrchem::ExchangePotentialD2::apply(mrchem::Orbital)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp:118:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 118 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.h:34, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/LinearResponseSolver.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/LinearResponseSolver.cpp:31: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp: In member function ‘virtual mrchem::Orbital mrchem::ExchangePotentialD2::dagger(mrchem::Orbital)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp:177:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 177 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp: In member function ‘void mrchem::Accelerator::sortLinearSystem(std::vector, -1, -1> >&, std::vector, -1, 1> >&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp:326:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector, -1, 1> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 326 | for (int i = 0; i < b_vectors.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp:337:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector, -1, 1> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 337 | for (int i = 0; i < b_vectors.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp: In function ‘double mrchem::detail::gradCavity(mrcpp::Coord<3>&, int, const std::vector >&, const std::vector&, const std::vector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp:65:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 65 | for (int i = 0; i < centers.size(); ++i) { | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp: In constructor ‘mrchem::Cavity::Cavity(const std::vector >&, const std::vector&, const std::vector&, const std::vector&, const std::vector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp:107:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 107 | for (auto i = 0; i < this->radii_0.size(); ++i) { this->radii.push_back(this->radii_0[i] * this->alphas[i] + this->betas[i] * this->sigmas[i]); } | ~~^~~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp: In member function ‘virtual double mrchem::Cavity::evalf(mrcpp::Coord<3>&) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp:134:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 134 | for (int i = 0; i < centers.size(); i++) { | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp: In member function ‘virtual bool mrchem::Cavity::isZeroOnInterval(const double*, const double*) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp:157:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 157 | for (int k = 0; k < this->centers.size(); ++k) { | ~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp: In member function ‘mrchem::OrbitalVector mrchem::HelmholtzVector::operator()(mrchem::OrbitalVector&) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp:80:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 80 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp: In member function ‘mrchem::OrbitalVector mrchem::HelmholtzVector::apply(mrchem::RankZeroOperator&, mrchem::OrbitalVector&, mrchem::OrbitalVector&) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp:119:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 119 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp:32: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp: In member function ‘mrcpp::FunctionTreeVector<3> mrdft::MRDFT::evaluate(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp:71:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 71 | for (auto i = 0; i < xcInpVec.size(); i++) { | ~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp: In member function ‘mrchem::OrbitalVector mrchem::FockBuilder::buildHelmholtzArgumentZORA(mrchem::OrbitalVector&, mrchem::OrbitalVector&, mrchem::DoubleVector, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 263 | for (int i = 0; i < epsPhi.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp:278:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 278 | for (int i = 0; i < arg.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp: In member function ‘mrchem::OrbitalVector mrchem::FockBuilder::buildHelmholtzArgumentNREL(mrchem::OrbitalVector&, mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp:308:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 308 | for (int i = 0; i < out.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp:150:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 150 | for (auto i = 0; i < ctrOutVec.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp:167:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 167 | for (auto i = 0; i < potOutVec.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp:81:9: warning: unused variable ‘nFcs’ [-Wunused-variable] 81 | int nFcs = functional().getXCOutputLength(); | ^~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function ‘virtual void mrchem::ExchangePotentialD1::setupBank()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:63:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 63 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function ‘virtual int mrchem::ExchangePotentialD1::testInternal(mrchem::Orbital) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:90:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 90 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function ‘virtual void mrchem::ExchangePotentialD1::setupInternal(double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:247:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 247 | for (int i = 0; i < itasks[task].size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:262:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 262 | for (int j = 0; j < jtasks[task].size(); j++) { | ~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::OrbitalVector mrchem::orbital::add(mrchem::ComplexDouble, mrchem::OrbitalVector&, mrchem::ComplexDouble, mrchem::OrbitalVector&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:214:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 214 | for (int i = 0; i < Phi_a.size(); i++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:273:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 273 | for (int i = 0; i < iorb_vec.size(); i++) { | ~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:321:26: warning: unused variable ‘tT’ [-Wunused-variable] 321 | auto tT = timerx.elapsed(); | ^~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:334:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 334 | for (int jj = 0; jj < iijfunc_vec.size(); jj++) iijfunc_vec[jj].free(NUMBER::Total); | ~~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:302:17: warning: unused variable ‘lastsize’ [-Wunused-variable] 302 | int lastsize = iVec.size(); | ^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:369:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 369 | for (int jj = 0; jj < iijfunc_vec.size(); jj++) iijfunc_vec[jj].free(NUMBER::Total); | ~~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:382:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 382 | for (int jj = 0; jj < iijfunc_vec.size(); jj++) iijfunc_vec[jj].free(NUMBER::Total); | ~~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function ‘mrchem::Orbital mrchem::ExchangePotentialD1::calcExchange(mrchem::Orbital)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:424:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 424 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::OrbitalVector mrchem::orbital::rotate(mrchem::OrbitalVector&, const mrchem::ComplexMatrix&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:300:20: warning: unused variable ‘sign’ [-Wunused-variable] 300 | double sign = 1.0; | ^~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:424:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 424 | for (int i = 0; i < orbiVec.size(); i++) { // loop over rotated orbitals | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:425:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 425 | for (int j = 0; j < orbjVec.size(); j++) { Un(j, i) = Ureal(orbjVec[j], orbiVec[i]); } | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:435:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 435 | for (int i = 0; i < orbiVec.size(); i++) { | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:520:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 520 | for (int i = 0; i < orbiVec.size(); i++) { // loop over included rotated real and imag part of orbitals | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:521:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 521 | for (int j = 0; j < orbjVec.size(); j++) { // loop over input orbital, possibly imaginary parts | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:531:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 531 | for (int i = 0; i < orbiVec.size(); i++) { // loop over rotated orbitals | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:578:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 578 | for (int n = 0; n < nodeidVec.size(); n++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::save_nodes(mrchem::OrbitalVector, mrcpp::FunctionTree<3>&, mrchem::BankAccount&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:612:9: warning: unused variable ‘max_nNodes’ [-Wunused-variable] 612 | int max_nNodes = refTree.getNNodes(); | ^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::save_orbitals(mrchem::OrbitalVector&, const std::string&, int)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:741:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 741 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::orthogonalize(double, mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:813:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 813 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::ComplexMatrix mrchem::orbital::calc_overlap_matrix(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:954:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 954 | for (int i = 0; i < orbVec.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:955:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 955 | for (int j = 0; j < orbVec.size(); j++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:973:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 973 | for (int i = 0; i < orbVec.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:974:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 974 | for (int j = 0; j < orbVec.size(); j++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:928:9: warning: unused variable ‘ibank’ [-Wunused-variable] 928 | int ibank = 0; | ^~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::ComplexMatrix mrchem::orbital::calc_overlap_matrix(mrchem::OrbitalVector&, mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1145:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1145 | for (int i = 0; i < orbVecBra.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1146:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1146 | for (int j = 0; j < orbVecKet.size(); j++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1169:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1169 | for (int i = 0; i < orbVecBra.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1170:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1170 | for (int j = 0; j < orbVecKet.size(); j++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1113:9: warning: unused variable ‘ibank’ [-Wunused-variable] 1113 | int ibank = 0; | ^~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/KineticOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.h:32, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::DoubleMatrix mrchem::orbital::calc_norm_overlap_matrix(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1304:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1304 | for (int i = 0; i < orbVec.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1305:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1305 | for (int j = 0; j < orbVec.size(); j++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1324:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1324 | for (int i = 0; i < orbVec.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1325:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1325 | for (int j = 0; j < orbVec.size(); j++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1278:9: warning: unused variable ‘ibank’ [-Wunused-variable] 1278 | int ibank = 0; | ^~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::set_spins(mrchem::OrbitalVector&, const mrchem::IntVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1630:20: warning: comparison of integer expressions of different signedness: ‘std::vector::size_type’ {aka ‘long unsigned int’} and ‘Eigen::EigenBase >::Index’ {aka ‘long int’} [-Wsign-compare] 1630 | if (Phi.size() != spins.size()) MSG_ERROR("Size mismatch"); | ~~~~~~~~~~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1631:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1631 | for (int i = 0; i < Phi.size(); i++) Phi[i].setSpin(spins(i)); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::set_occupations(mrchem::OrbitalVector&, const mrchem::IntVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1648:20: warning: comparison of integer expressions of different signedness: ‘std::vector::size_type’ {aka ‘long unsigned int’} and ‘Eigen::EigenBase >::Index’ {aka ‘long int’} [-Wsign-compare] 1648 | if (Phi.size() != occ.size()) MSG_ERROR("Size mismatch"); | ~~~~~~~~~~~^~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1649:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1649 | for (int i = 0; i < Phi.size(); i++) Phi[i].setOcc(occ(i)); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::print(const mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1745:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1745 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp:72: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::DoubleVector mrchem::orbital::calc_eigenvalues(const mrchem::OrbitalVector&, const mrchem::ComplexMatrix&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1762:22: warning: comparison of integer expressions of different signedness: ‘Eigen::Index’ {aka ‘long int’} and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1762 | if (F_mat.cols() != Phi.size()) MSG_ABORT("Invalid Fock matrix"); | ~~~~~~~~~~~~~^~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘int mrchem::orbital::print_size_nodes(const mrchem::OrbitalVector&, const std::string&, bool, int)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1812:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1812 | for (int i = 0; i < Phi.size(); i++) sNodes[i] = Phi[i].getSizeNodes(NUMBER::Total); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1815:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1815 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/KineticOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.h:32, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp: In function ‘void mrchem::driver::scf::calc_properties(const nlohmann::json_abi_v3_11_3::json&, mrchem::Molecule&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp:466:11: warning: unused variable ‘F_mat’ [-Wunused-variable] 466 | auto &F_mat = mol.getFockMatrix(); | ^~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp: In function ‘void mrchem::driver::scf::plot_quantities(const nlohmann::json_abi_v3_11_3::json&, mrchem::Molecule&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp:659:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 659 | for (auto i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/KineticOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.h:32, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp:31: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/mw.cpp: In function ‘bool mrchem::initial_guess::mw::project_mo(mrchem::OrbitalVector&, double, const std::string&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/mw.cpp:106:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 106 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp: In function ‘void mrchem::initial_guess::gto::project_mo(mrchem::OrbitalVector&, double, const std::string&, const std::string&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp:146:19: warning: comparison of integer expressions of different signedness: ‘Eigen::Index’ {aka ‘long int’} and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 146 | if (MO.cols() < Phi.size()) MSG_ABORT("Size mismatch"); | ~~~~~~~~~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp:150:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 150 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp: In function ‘void mrchem::initial_guess::core::project_ao(mrchem::OrbitalVector&, double, const mrchem::Nuclei&, int)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp:183:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 183 | for (int i = 0; i < nucs.size(); i++) { | ~~^~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp: In function ‘void mrchem::initial_guess::core::rotate_orbitals(mrchem::OrbitalVector&, double, mrchem::ComplexMatrix&, mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp:235:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 235 | for (auto j = 0; j < Psi.size(); j++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp: In function ‘void mrchem::initial_guess::gto::project_ao(mrchem::OrbitalVector&, double, const mrchem::Nuclei&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp:221:13: warning: unused variable ‘n’ [-Wunused-variable] 221 | int n = 0; | ^ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp:48: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp: In function ‘void mrchem::initial_guess::sad::project_atomic_densities(double, mrchem::Density&, const mrchem::Nuclei&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp:262:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 262 | for (int k = 0; k < N_nucs; k++) { | ~~^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp:284:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 284 | for (int k = 0; k < N_nucs; k++) { | ~~^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/cube.cpp: In function ‘bool mrchem::initial_guess::cube::project_mo(mrchem::OrbitalVector&, double, const std::string&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/cube.cpp:120:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 120 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 73%] Linking CXX static library ../lib64/libmrchem.a cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/cmake -P CMakeFiles/mrchem.dir/cmake_clean_target.cmake cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/mrchem.dir/link.txt --verbose=1 /usr/bin/ar qc ../lib64/libmrchem.a CMakeFiles/mrchem.dir/driver.cpp.o CMakeFiles/mrchem.dir/parallel.cpp.o CMakeFiles/mrchem.dir/mrenv.cpp.o 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CMakeFiles/mrchem.dir/qmfunctions/Orbital.cpp.o CMakeFiles/mrchem.dir/qmfunctions/OrbitalIterator.cpp.o CMakeFiles/mrchem.dir/qmfunctions/Density.cpp.o CMakeFiles/mrchem.dir/qmfunctions/qmfunction_utils.cpp.o CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o CMakeFiles/mrchem.dir/qmoperators/QMDerivative.cpp.o CMakeFiles/mrchem.dir/qmoperators/QMIdentity.cpp.o CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o CMakeFiles/mrchem.dir/qmoperators/QMSpin.cpp.o CMakeFiles/mrchem.dir/qmoperators/qmoperator_utils.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/ZoraOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotential.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/FockBuilder.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/ReactionPotential.cpp.o CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o CMakeFiles/mrchem.dir/tensor/RankOneOperator.cpp.o CMakeFiles/mrchem.dir/tensor/RankTwoOperator.cpp.o CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o CMakeFiles/mrchem.dir/utils/print_utils.cpp.o CMakeFiles/mrchem.dir/utils/math_utils.cpp.o CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o CMakeFiles/mrchem.dir/utils/Bank.cpp.o CMakeFiles/mrchem.dir/utils/gto_utils/AOBasis.cpp.o CMakeFiles/mrchem.dir/utils/gto_utils/AOContraction.cpp.o CMakeFiles/mrchem.dir/utils/gto_utils/Intgrl.cpp.o CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o CMakeFiles/mrchem.dir/initial_guess/core.cpp.o CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o /usr/bin/ranlib ../lib64/libmrchem.a gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 73%] Built target mrchem /usr/bin/gmake -f src/CMakeFiles/mrchem.x.dir/build.make src/CMakeFiles/mrchem.x.dir/depend /usr/bin/gmake -f pilot/CMakeFiles/mrchem-pilot.x.dir/build.make pilot/CMakeFiles/mrchem-pilot.x.dir/depend /usr/bin/gmake -f tests/CMakeFiles/mrchem-tests.dir/build.make tests/CMakeFiles/mrchem-tests.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src/CMakeFiles/mrchem.x.dir/DependInfo.cmake "--color=" gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/pilot /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/pilot /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/pilot/CMakeFiles/mrchem-pilot.x.dir/DependInfo.cmake "--color=" gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests 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/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp [ 96%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o [ 97%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/electric_field_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/electric_field_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/electric_field_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/electric_field_operator.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/operator_composition.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/operator_composition.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/operator_composition.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/operator_composition.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o -MF CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o.d -o CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/solventeffect/cavity_function.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/solventeffect/reaction_operator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/IdentityOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/identity_operator.cpp:34: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/density.cpp: In function ‘void density_tests::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/density.cpp:42:18: warning: unused variable ‘thrs’ [-Wunused-variable] 42 | const double thrs = 1.0e-12; | ^~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ElectricFieldOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/electric_field_operator.cpp:36: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangeOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/electric_field_operator.cpp: In function ‘void electric_field_operator::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/electric_field_operator.cpp:117:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 117 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/electric_field_operator.cpp:118:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 118 | for (int j = 0; j < xPhi.size(); j++) { | ~~^~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp: In function ‘void exchnage_hessian::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:75:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 75 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:102:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 102 | for (int i = 0; i < Phi_x.size(); i++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:128:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 128 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp:38: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:38: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp: In function ‘void nuclear_potential::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp:69:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 69 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:151:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 151 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:107:9: warning: unused variable ‘i’ [-Wunused-variable] 107 | int i = 0; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp:106:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 106 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp:129:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 129 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangeOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp: In function ‘void exchange_potential::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:69:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 69 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/CoulombOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/CoulombOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/orbital_vector.cpp: In function ‘void orbital_vector_tests::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/orbital_vector.cpp:247:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 247 | for (int n = 0; n < Phi.size(); n++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:97:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 97 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp: In function ‘void coulomb_potential::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp:72:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 72 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp: In function ‘void coulomb_hessian::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:70:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 70 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:92:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 92 | for (int i = 0; i < Phi_x.size(); i++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:120:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 120 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:48:15: warning: unused variable ‘nShells’ [-Wunused-variable] 48 | const int nShells = 2; | ^~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:74:9: warning: unused variable ‘i’ [-Wunused-variable] 74 | int i = 0; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:119:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 119 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp:102:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 102 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:142:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 142 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp:125:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 125 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:97:9: warning: unused variable ‘i’ [-Wunused-variable] 97 | int i = 0; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp:77:9: warning: unused variable ‘i’ [-Wunused-variable] 77 | int i = 0; | ^ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp:38: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp:39: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:38: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/MomentumOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/momentum_operator.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp: In function ‘void coulomb_hessian::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:79:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 79 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:101:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 101 | for (int i = 0; i < Phi_x.size(); i++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:128:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 128 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:151:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 151 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/KineticOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/kinetic_operator.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:106:9: warning: unused variable ‘i’ [-Wunused-variable] 106 | int i = 0; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/kinetic_operator.cpp: In function ‘void kinetic_operator::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/kinetic_operator.cpp:88:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 88 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/kinetic_operator.cpp:111:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 111 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ReactionOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/solventeffect/reaction_operator.cpp:48: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/IdentityOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/operator_composition.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp: In function ‘void xc_operator::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp:82:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 82 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp:112:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 112 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp:135:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 135 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/PositionOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/position_operator.cpp:35: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp: In function ‘void xc_hessian::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:80:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 80 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:102:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 102 | for (int i = 0; i < Phi_x.size(); i++) { | ~~^~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/operator_composition.cpp: In function ‘void operator_composition::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/operator_composition.cpp:533:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 533 | for (int n = 0; n < Psi.size(); n++) REQUIRE(val(n) == Approx(0.0).margin(thrs)); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/operator_composition.cpp:547:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 547 | for (int n = 0; n < Psi.size(); n++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:129:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 129 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:152:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 152 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:107:9: warning: unused variable ‘i’ [-Wunused-variable] 107 | int i = 0; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp: In function ‘void xc_operator::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp:82:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 82 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp:112:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 112 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp:135:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 135 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 98%] Linking CXX executable ../bin/mrchem-pilot.x cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/pilot && /usr/bin/cmake -E cmake_link_script CMakeFiles/mrchem-pilot.x.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes "CMakeFiles/mrchem-pilot.x.dir/mrchem.cpp.o" -o ../bin/mrchem-pilot.x ../lib64/libmrchem.a /usr/lib64/libxcfun.so.2 -lstdc++ -lm -lgcc_s -lgcc -lc -lgcc_s -lgcc -lc /usr/lib64/libmrcpp.so.1 /usr/lib/gcc/riscv64-redhat-linux/14/libgomp.so /lib64/lp64d/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 98%] Built target mrchem-pilot.x [ 99%] Linking CXX executable ../bin/mrchem.x cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/mrchem.x.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes CMakeFiles/mrchem.x.dir/mrchem.cpp.o -o ../bin/mrchem.x ../lib64/libmrchem.a /usr/lib64/libxcfun.so.2 -lstdc++ -lm -lgcc_s -lgcc -lc -lgcc_s -lgcc -lc /usr/lib64/libmrcpp.so.1 /usr/lib/gcc/riscv64-redhat-linux/14/libgomp.so /lib64/lp64d/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 99%] Built target mrchem.x [100%] Linking CXX executable ../bin/mrchem-tests cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mrchem-tests.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes "CMakeFiles/mrchem-tests.dir/unit_tests.cpp.o" "CMakeFiles/mrchem-tests.dir/qmfunctions/qmfunction.cpp.o" "CMakeFiles/mrchem-tests.dir/qmfunctions/density.cpp.o" "CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o" "CMakeFiles/mrchem-tests.dir/qmfunctions/orbital_vector.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/identity_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/position_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/nuclear_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/exchange_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_lda.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_blyp.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/electric_field_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/operator_composition.cpp.o" "CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o" -o ../bin/mrchem-tests ../lib64/libmrchem.a /usr/lib64/libxcfun.so.2 -lstdc++ -lm -lgcc_s -lgcc -lc -lgcc_s -lgcc -lc /usr/lib64/libmrcpp.so.1 /usr/lib/gcc/riscv64-redhat-linux/14/libgomp.so /lib64/lp64d/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [100%] Built target mrchem-tests gmake[1]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/CMakeFiles 0 + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.yNsie6 + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + '[' /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT '!=' / ']' + rm -rf /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT ++ dirname /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT + mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build + mkdir /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT + CFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd mrchem-1.1.3 + DESTDIR=/builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT + /usr/bin/cmake --install redhat-linux-build -- Install configuration: "Release" -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ga.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ga.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/B.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/K.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/P.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cr.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Sr.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Mg.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/F.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Sn.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Li.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Li.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Se.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ca.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Se.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cd.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cl.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Co.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/He.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Rh.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/C.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ti.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cu.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Na.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ar.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/As.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ne.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Al.dens 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mv /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python/mrchem /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages + /usr/bin/find-debuginfo -j64 --strict-build-id -m -i --build-id-seed 1.1.3-6.fc41 --unique-debug-suffix -1.1.3-6.fc41.riscv64 --unique-debug-src-base mrchem-1.1.3-6.fc41.riscv64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 find-debuginfo: starting Extracting debug info from 1 files DWARF-compressing 1 files sepdebugcrcfix: Updated 1 CRC32s, 0 CRC32s did match. Creating .debug symlinks for symlinks to ELF files Copying sources found by 'debugedit -l' to /usr/src/debug/mrchem-1.1.3-6.fc41.riscv64 1913 blocks find-debuginfo: done + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-ldconfig + /usr/lib/rpm/brp-compress + /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip + /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip + /usr/lib/rpm/check-rpaths + /usr/lib/rpm/redhat/brp-mangle-shebangs mangling shebang in /usr/bin/mrchem from /usr/bin/env python3 to #!/usr/bin/python3 + /usr/lib/rpm/brp-remove-la-files + env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j64 Bytecompiling .py files below /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13 using python3.13 + /usr/lib/rpm/redhat/brp-python-hardlink + /usr/bin/add-determinism --brp -j64 /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT 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/builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/input_parser/__pycache__/api.cpython-313.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/input_parser/__pycache__/__init__.cpython-313.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/__pycache__/config.cpython-313.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/__pycache__/physical_constants.cpython-313.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/__pycache__/api.cpython-313.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/__pycache__/cli.cpython-313.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/__pycache__/update_input_parser.cpython-313.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/__pycache__/CUBEparser.cpython-313.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/__pycache__/helpers.cpython-313.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/__pycache__/periodictable.cpython-313.opt-1.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/__pycache__/__init__.cpython-313.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/__pycache__/validators.cpython-313.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.13/site-packages/mrchem/input_parser/plumbing/pyparsing/__pycache__/core.cpython-313.pyc: rewriting with normalized contents /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib64/libmrchem.a: replacing with normalized version Scanned 47 directories and 398 files, processed 34 inodes, 34 modified (1 replaced + 33 rewritten), 0 unsupported format, 0 errors Reading /builddir/build/BUILD/mrchem-1.1.3-build/SPECPARTS/rpm-debuginfo.specpart Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.E8C04s + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + CFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd mrchem-1.1.3 + export PYTHONPATH=/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python/ + PYTHONPATH=/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python/ + cat + /usr/bin/ctest --test-dir redhat-linux-build --output-on-failure --force-new-ctest-process --timeout 6000 -j1 Internal ctest changing into directory: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build Test project /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build Start 29: HF_molecular_gradient_LDA 1/32 Test #29: HF_molecular_gradient_LDA ........ Passed 35.23 sec Start 30: cube_parser 2/32 Test #30: cube_parser ...................... Passed 0.50 sec Start 23: H_SCF_finite_electric_field 3/32 Test #23: H_SCF_finite_electric_field ...... Passed 18.11 sec Start 24: H2_SCF_HartreeFock 4/32 Test #24: H2_SCF_HartreeFock ............... Passed 31.57 sec Start 25: H2_static_polarizability_LDA 5/32 Test #25: H2_static_polarizability_LDA ..... Passed 73.05 sec Start 26: H2O_energy_BLYP 6/32 Test #26: H2O_energy_BLYP .................. Passed 39.04 sec Start 27: Li_SCF_PBE0 7/32 Test #27: Li_SCF_PBE0 ...................... Passed 53.66 sec Start 28: Li_static_polarizability_LDA 8/32 Test #28: Li_static_polarizability_LDA ..... Passed 119.65 sec Start 31: H2_SCF_CUBE 9/32 Test #31: H2_SCF_CUBE ...................... Passed 24.77 sec Start 32: Li_solvent_effect 10/32 Test #32: Li_solvent_effect ................ Passed 37.99 sec Start 1: qmfunction 11/32 Test #1: qmfunction ....................... Passed 6.68 sec Start 2: density 12/32 Test #2: density .......................... Passed 4.16 sec Start 3: orbital 13/32 Test #3: orbital .......................... Passed 0.84 sec Start 4: orbital_vector 14/32 Test #4: orbital_vector ................... Passed 6.92 sec Start 5: identity_operator 15/32 Test #5: identity_operator ................ Passed 3.00 sec Start 6: position_operator 16/32 Test #6: position_operator ................ Passed 0.85 sec Start 7: momentum_operator 17/32 Test #7: momentum_operator ................ Passed 2.20 sec Start 8: kinetic_operator 18/32 Test #8: kinetic_operator ................. Passed 5.68 sec Start 9: nuclear_operator 19/32 Test #9: nuclear_operator ................. Passed 3.11 sec Start 10: coulomb_operator 20/32 Test #10: coulomb_operator ................. Passed 11.48 sec Start 11: coulomb_hessian 21/32 Test #11: coulomb_hessian .................. Passed 10.95 sec Start 12: exchange_operator 22/32 Test #12: exchange_operator ................ Passed 10.15 sec Start 13: exchange_hessian 23/32 Test #13: exchange_hessian ................. Passed 10.93 sec Start 14: xc_operator_lda 24/32 Test #14: xc_operator_lda .................. Passed 5.51 sec Start 15: xc_operator_blyp 25/32 Test #15: xc_operator_blyp ................. Passed 8.21 sec Start 16: xc_hessian_lda 26/32 Test #16: xc_hessian_lda ................... Passed 5.46 sec Start 17: xc_hessian_pbe 27/32 Test #17: xc_hessian_pbe ................... Passed 11.33 sec Start 18: electric_field_operator 28/32 Test #18: electric_field_operator .......... Passed 4.26 sec Start 19: electric_field_energy 29/32 Test #19: electric_field_energy ............ Passed 0.76 sec Start 20: operator_composition 30/32 Test #20: operator_composition ............. Passed 26.96 sec Start 21: cavity_function 31/32 Test #21: cavity_function .................. Passed 1.51 sec Start 22: reaction_operator 32/32 Test #22: reaction_operator ................ Passed 24.42 sec 100% tests passed, 0 tests failed out of 32 Label Time Summary: H2O_energy_BLYP = 39.04 sec*proc (1 test) H2_SCF_HartreeFock = 31.57 sec*proc (1 test) H2_static_polarizability_LDA = 73.05 sec*proc (1 test) HF_molecular_gradient_LDA = 35.23 sec*proc (1 test) Li_SCF_PBE0 = 53.66 sec*proc (1 test) Li_static_polarizability_LDA = 119.65 sec*proc (1 test) cavity_function = 1.51 sec*proc (1 test) coulomb_hessian = 10.95 sec*proc (1 test) coulomb_operator = 11.48 sec*proc (1 test) cube_guess = 25.28 sec*proc (2 tests) cube_parser = 0.50 sec*proc (1 test) density = 4.16 sec*proc (1 test) dft = 92.70 sec*proc (2 tests) electric_field = 18.11 sec*proc (1 test) electric_field_energy = 0.76 sec*proc (1 test) electric_field_operator = 4.26 sec*proc (1 test) energy = 187.03 sec*proc (5 tests) exchange_hessian = 10.93 sec*proc (1 test) exchange_operator = 10.15 sec*proc (1 test) gga = 39.04 sec*proc (1 test) gradient = 35.23 sec*proc (1 test) h2_pol_lda = 73.05 sec*proc (1 test) h2_scf_cube = 24.77 sec*proc (1 test) h2_scf_hf = 31.57 sec*proc (1 test) h2o_energy_blyp = 39.04 sec*proc (1 test) h_el_field = 18.11 sec*proc (1 test) hartree_fock = 31.57 sec*proc (1 test) hf = 18.11 sec*proc (1 test) hf_grad_lda = 35.23 sec*proc (1 test) identity_operator = 3.00 sec*proc (1 test) integration = 433.58 sec*proc (10 tests) kinetic_operator = 5.68 sec*proc (1 test) li_pol_lda = 119.65 sec*proc (1 test) li_scf_pbe0 = 53.66 sec*proc (1 test) li_solv = 37.99 sec*proc (1 test) momentum_operator = 2.20 sec*proc (1 test) mrchem = 433.58 sec*proc (10 tests) nuclear_operator = 3.11 sec*proc (1 test) open_shell = 119.65 sec*proc (1 test) operator_composition = 26.96 sec*proc (1 test) orbital = 0.84 sec*proc (1 test) orbital_vector = 6.92 sec*proc (1 test) polarizability = 192.70 sec*proc (2 tests) position_operator = 0.85 sec*proc (1 test) qmfunction = 6.68 sec*proc (1 test) reaction_operator = 24.42 sec*proc (1 test) scf = 166.10 sec*proc (5 tests) solvent = 37.99 sec*proc (1 test) unit = 165.38 sec*proc (22 tests) xc_hessian_lda = 5.46 sec*proc (1 test) xc_hessian_pbe = 11.33 sec*proc (1 test) xc_operator_blyp = 8.21 sec*proc (1 test) xc_operator_lda = 5.51 sec*proc (1 test) Total Test time (real) = 599.04 sec + RPM_EC=0 ++ jobs -p + exit 0 Processing files: mrchem-1.1.3-6.fc41.riscv64 Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.cfEhpH + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + cd mrchem-1.1.3 + DOCDIR=/builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + export LC_ALL=C.UTF-8 + LC_ALL=C.UTF-8 + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + cp -pr /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/CHANGELOG.md /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + cp -pr /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/CONTRIBUTING.md /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + cp -pr /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/README.md /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + cp -pr /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/VERSION /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.6uJIEm + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + cd mrchem-1.1.3 + LICENSEDIR=/builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/licenses/mrchem + export LC_ALL=C.UTF-8 + LC_ALL=C.UTF-8 + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/licenses/mrchem + cp -pr /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/LICENSE /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/licenses/mrchem + RPM_EC=0 ++ jobs -p + exit 0 Provides: mrchem = 1.1.3-6.fc41 mrchem(riscv-64) = 1.1.3-6.fc41 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/python3 ld-linux-riscv64-lp64d.so.1()(64bit) ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.27)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(GOMP_4.5)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.27)(64bit) libmrcpp.so.1()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.9)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.14)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.26)(64bit) libstdc++.so.6(GLIBCXX_3.4.29)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libxcfun.so.2()(64bit) python(abi) = 3.13 rtld(GNU_HASH) Processing files: mrchem-devel-1.1.3-6.fc41.riscv64 Provides: mrchem-devel = 1.1.3-6.fc41 mrchem-devel(riscv-64) = 1.1.3-6.fc41 mrchem-static(riscv-64) = 1.1.3-6.fc41 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: mrchem-data-1.1.3-6.fc41.noarch Provides: mrchem-data = 1.1.3-6.fc41 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: mrchem-debugsource-1.1.3-6.fc41.riscv64 Provides: mrchem-debugsource = 1.1.3-6.fc41 mrchem-debugsource(riscv-64) = 1.1.3-6.fc41 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: mrchem-debuginfo-1.1.3-6.fc41.riscv64 Provides: debuginfo(build-id) = 5b917021d22ac88ddc2b0a02dddf34bac1495d27 mrchem-debuginfo = 1.1.3-6.fc41 mrchem-debuginfo(riscv-64) = 1.1.3-6.fc41 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: mrchem-debugsource(riscv-64) = 1.1.3-6.fc41 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT Wrote: /builddir/build/RPMS/mrchem-debugsource-1.1.3-6.fc41.riscv64.rpm Wrote: /builddir/build/RPMS/mrchem-data-1.1.3-6.fc41.noarch.rpm Wrote: /builddir/build/RPMS/mrchem-1.1.3-6.fc41.riscv64.rpm Wrote: /builddir/build/RPMS/mrchem-devel-1.1.3-6.fc41.riscv64.rpm Wrote: /builddir/build/RPMS/mrchem-debuginfo-1.1.3-6.fc41.riscv64.rpm Child return code was: 0