Mock Version: 2.15 Mock Version: 2.15 Mock Version: 2.15 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target riscv64 --nodeps /builddir/build/SPECS/mrchem.spec'], chrootPath='/var/lib/mock/f37-build-677658-76262/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=991gid=135user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False) Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --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'} and shell False Building target platforms: riscv64 Building for target riscv64 setting SOURCE_DATE_EPOCH=1658361600 Wrote: /builddir/build/SRPMS/mrchem-1.0.2-5.fc37.src.rpm Child return code was: 0 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/mrchem.spec'], chrootPath='/var/lib/mock/f37-build-677658-76262/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=991gid=135user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False) Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --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'} and shell False Building target platforms: riscv64 Building for target riscv64 setting SOURCE_DATE_EPOCH=1658361600 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.6LZzEL + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf mrchem-1.0.2 + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/mrchem-1.0.2.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd mrchem-1.0.2 + /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 + echo 'Patch #1 (mrchem-1.0.2-pythonpath.patch):' 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-1.0.2-rpath.patch): + echo 'Patch #2 (mrchem-1.0.2-rpath.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .rpath --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.RlFqYl + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + 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-1.0.2 + export 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2' + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + 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 12.2.1 -- 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 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -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 3.11.2) -- 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 1.4.1) -- Found Python3: /usr/bin/python3.11 (found version "3.11.0") found components: Interpreter -- Setting (unspecified) option PYMOD_INSTALL_LIBDIR: python -- Found packages: * Eigen3 (required version >= 3.3) * OpenMP * Python3 -- Configuring done -- Generating done 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-1.0.2/redhat-linux-build + /usr/bin/cmake --build redhat-linux-build -j4 --verbose /usr/bin/cmake -S/builddir/build/BUILD/mrchem-1.0.2 -B/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/CMakeFiles /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build//CMakeFiles/progress.marks /usr/bin/gmake -f CMakeFiles/Makefile2 all gmake[1]: Entering directory '/builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/redhat-linux-build' gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.0.2 /builddir/build/BUILD/mrchem-1.0.2 /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/CMakeFiles/mrchem-info.dir/DependInfo.cmake --color= cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.0.2 /builddir/build/BUILD/mrchem-1.0.2/python /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/python /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/python/CMakeFiles/mrchem-python.dir/DependInfo.cmake --color= gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/redhat-linux-build' gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' [ 2%] Copy /builddir/build/BUILD/mrchem-1.0.2/python/mrchem to /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/lib/python/mrchem [ 2%] Generating version.h cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/python && /usr/bin/cmake -E copy /builddir/build/BUILD/mrchem-1.0.2/python/mrchem/*.py /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/lib/python/mrchem cd /builddir/build/BUILD/mrchem-1.0.2/cmake/custom && /usr/bin/cmake -DINPUT_DIR=/builddir/build/BUILD/mrchem-1.0.2 -DTARGET_DIR=/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -DCMAKE_SYSTEM=Linux-5.18.8-200.0.riscv64.fc33.riscv64 -DCMAKE_SYSTEM_PROCESSOR=riscv64 -DCMAKE_GENERATOR=Unix\ Makefiles -DCMAKE_BUILD_TYPE=Release -DCMAKE_CXX_COMPILER=/usr/bin/g++ -DCMAKE_CXX_COMPILER_VERSION=12.2.1 -DMRCHEM_VERSION=1.0.2 -DMW_FILTER_SOURCE_DIR= -DMW_FILTER_INSTALL_DIR= -P /builddir/build/BUILD/mrchem-1.0.2/cmake/custom/binary-info.cmake cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/python && /usr/bin/cmake -E copy_directory /builddir/build/BUILD/mrchem-1.0.2/python/mrchem/input_parser /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/lib/python/mrchem/input_parser -- MRChem version: 1.0.2 -- Git branch: unknown -- Git last commit hash: unknown -- Git last commit author: unknown -- Git last commit date: unknown /usr/bin/cmake -E touch_nocreate /builddir/build/BUILD/mrchem-1.0.2/version.h.in gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' [ 2%] Built target mrchem-info [ 2%] Built target mrchem-python /usr/bin/gmake -f src/CMakeFiles/mrchem.dir/build.make src/CMakeFiles/mrchem.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.0.2 /builddir/build/BUILD/mrchem-1.0.2/src /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src/CMakeFiles/mrchem.dir/DependInfo.cmake --color= gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/redhat-linux-build' [ 4%] Building CXX object src/CMakeFiles/mrchem.dir/mrenv.cpp.o [ 4%] Building CXX object src/CMakeFiles/mrchem.dir/driver.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/driver.cpp cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/mrenv.cpp [ 5%] Building CXX object src/CMakeFiles/mrchem.dir/parallel.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/parallel.cpp.o -MF CMakeFiles/mrchem.dir/parallel.cpp.o.d -o CMakeFiles/mrchem.dir/parallel.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/parallel.cpp [ 6%] Building CXX object src/CMakeFiles/mrchem.dir/chemistry/chemistry_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/chemistry/chemistry_utils.cpp.o -MF CMakeFiles/mrchem.dir/chemistry/chemistry_utils.cpp.o.d -o CMakeFiles/mrchem.dir/chemistry/chemistry_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/chemistry/chemistry_utils.cpp /builddir/build/BUILD/mrchem-1.0.2/src/parallel.cpp: In function 'void mrchem::mpi::distribute(mrchem::OrbitalVector&)': /builddir/build/BUILD/mrchem-1.0.2/src/parallel.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++) Phi[i].setRankID(i % mpi::orb_size); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/parallel.cpp: In function 'mrchem::OrbitalChunk mrchem::mpi::get_my_chunk(mrchem::OrbitalVector&)': /builddir/build/BUILD/mrchem-1.0.2/src/parallel.cpp:212:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 212 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/parallel.cpp: In destructor 'mrchem::Bank::~Bank()': /builddir/build/BUILD/mrchem-1.0.2/src/parallel.cpp:420:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 420 | for (int ix = 1; ix < this->deposits.size(); ix++) this->clear(ix); | ~~~^~~~~~~~~~~~~~~~~~~~~~~ [ 7%] Building CXX object src/CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o -MF CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o.d -o CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/chemistry/PeriodicTable.cpp [ 8%] Building CXX object src/CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o -MF CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o.d -o CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/chemistry/Molecule.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/MomentumOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/KineticOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/core.h:32, from /builddir/build/BUILD/mrchem-1.0.2/src/driver.cpp:36: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/driver.cpp:56: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~ [ 9%] Building CXX object src/CMakeFiles/mrchem.dir/chemistry/Cavity.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/chemistry/Cavity.cpp.o -MF CMakeFiles/mrchem.dir/chemistry/Cavity.cpp.o.d -o CMakeFiles/mrchem.dir/chemistry/Cavity.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/chemistry/Cavity.cpp /builddir/build/BUILD/mrchem-1.0.2/src/driver.cpp: In function 'void mrchem::driver::scf::calc_properties(const nlohmann::json_abi_v3_11_2::json&, mrchem::Molecule&)': /builddir/build/BUILD/mrchem-1.0.2/src/driver.cpp:405:11: warning: unused variable 'F_mat' [-Wunused-variable] 405 | auto &F_mat = mol.getFockMatrix(); | ^~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/driver.cpp: In function 'void mrchem::driver::scf::plot_quantities(const nlohmann::json_abi_v3_11_2::json&, mrchem::Molecule&)': /builddir/build/BUILD/mrchem-1.0.2/src/driver.cpp:563:32: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 563 | for (auto i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/chemistry/Cavity.cpp: In member function 'virtual double mrchem::Cavity::evalf(mrcpp::Coord<3>&) const': /builddir/build/BUILD/mrchem-1.0.2/src/chemistry/Cavity.cpp:45:23: 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 < pos.size(); i++) { | ~~^~~~~~~~~~~~ [ 10%] Building CXX object src/CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/analyticfunctions/HydrogenFunction.cpp [ 11%] Building CXX object src/CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o -MF CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o.d -o CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/analyticfunctions/NuclearFunction.cpp /builddir/build/BUILD/mrchem-1.0.2/src/analyticfunctions/NuclearFunction.cpp: In member function 'virtual double mrchem::NuclearFunction::evalf(mrcpp::Coord<3>&) const': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/src/analyticfunctions/NuclearFunction.cpp: In member function 'virtual bool mrchem::NuclearFunction::isZeroOnInterval(const double*, const double*) const': /builddir/build/BUILD/mrchem-1.0.2/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++) { | ~~^~~~~~~~~~~~~~~~~~~~~ [ 12%] Building CXX object src/CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/analyticfunctions/NuclearGradientFunction.cpp [ 13%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/QMFunction.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/QMFunction.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/QMFunction.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/QMFunction.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/QMFunction.cpp [ 14%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/Orbital.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/Orbital.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/Orbital.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/Orbital.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/Orbital.cpp [ 15%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/OrbitalIterator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/OrbitalIterator.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/OrbitalIterator.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/OrbitalIterator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/OrbitalIterator.cpp [ 16%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/Density.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/Density.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/Density.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/Density.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/Density.cpp /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/OrbitalIterator.cpp: In constructor 'mrchem::OrbitalIterator::OrbitalIterator(mrchem::OrbitalVector&, bool)': /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/OrbitalIterator.cpp:44:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 44 | for (int i = 0; i < this->orbitals->size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/OrbitalIterator.cpp: In member function 'bool mrchem::OrbitalIterator::bank_next(int)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/src/qmfunctions/OrbitalIterator.cpp:229:13: warning: unused variable 'tag' [-Wunused-variable] 229 | int tag = i; | ^~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/OrbitalIterator.cpp:213:9: warning: unused variable 'my_rank' [-Wunused-variable] 213 | int my_rank = mpi::orb_rank; | ^~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/OrbitalIterator.cpp:214:9: warning: unused variable 'max_rank' [-Wunused-variable] 214 | int max_rank = mpi::orb_size; | ^~~~~~~~ [ 17%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/qmfunction_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/qmfunctions/qmfunction_utils.cpp [ 18%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/qmfunction_utils.cpp: In function 'void mrchem::qmfunction::linear_combination(mrchem::QMFunction&, const mrchem::ComplexVector&, mrchem::QMFunctionVector&, double)': /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/qmfunction_utils.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 < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/src/qmfunctions/orbital_utils.cpp:211:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 211 | for (int i = 0; i < Phi_a.size(); i++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp: In function 'mrchem::OrbitalVector mrchem::orbital::rotate(mrchem::OrbitalVector&, const mrchem::ComplexMatrix&, double)': /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:232:28: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 232 | for (auto j = 0; j < out.size(); j++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp: In function 'void mrchem::orbital::save_orbitals(mrchem::OrbitalVector&, const std::string&, int)': /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:349:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 349 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp: In function 'void mrchem::orbital::orthogonalize(double, mrchem::OrbitalVector&)': /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:421:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 421 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp: In function 'mrchem::ComplexMatrix mrchem::orbital::calc_norm_overlap_matrix(mrchem::OrbitalVector&, bool)': /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:540:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 540 | for (int i = 0; i < BraKet.size() and mpi::grand_master(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp: In function 'void mrchem::orbital::set_spins(mrchem::OrbitalVector&, const mrchem::IntVector&)': /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:869:20: 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] 869 | if (Phi.size() != spins.size()) MSG_ERROR("Size mismatch"); | ~~~~~~~~~~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:870:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 870 | for (int i = 0; i < Phi.size(); i++) Phi[i].setSpin(spins(i)); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp: In function 'void mrchem::orbital::set_occupations(mrchem::OrbitalVector&, const mrchem::IntVector&)': /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:887:20: 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] 887 | if (Phi.size() != occ.size()) MSG_ERROR("Size mismatch"); | ~~~~~~~~~~~^~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:888:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 888 | for (int i = 0; i < Phi.size(); i++) Phi[i].setOcc(occ(i)); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp: In function 'void mrchem::orbital::print(const mrchem::OrbitalVector&)': /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:984:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 984 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp: In function 'mrchem::DoubleVector mrchem::orbital::calc_eigenvalues(const mrchem::OrbitalVector&, const mrchem::ComplexMatrix&)': /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:1001:22: warning: comparison of integer expressions of different signedness: 'Eigen::Index' {aka 'long int'} and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1001 | if (F_mat.cols() != Phi.size()) MSG_ABORT("Invalid Fock matrix"); | ~~~~~~~~~~~~~^~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/src/qmfunctions/orbital_utils.cpp:1051:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1051 | for (int i = 0; i < Phi.size(); i++) sNodes[i] = Phi[i].getSizeNodes(NUMBER::Total); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/orbital_utils.cpp:1054:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 1054 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 20%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmfunctions/density_utils.cpp /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/src/qmfunctions/density_utils.cpp:188:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 188 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/src/qmfunctions/density_utils.cpp:219:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 219 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 21%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/RankZeroTensorOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/RankZeroTensorOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/RankZeroTensorOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/RankZeroTensorOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp:31: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp: In member function 'void mrchem::RankZeroTensorOperator::setup(double)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp:153:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 153 | for (int j = 0; j < i.size(); j++) { i[j]->setup(prec); } | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp: In member function 'void mrchem::RankZeroTensorOperator::clear()': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp:161:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 161 | for (int j = 0; j < i.size(); j++) { i[j]->clear(); } | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp: In member function 'mrchem::OrbitalVector mrchem::RankZeroTensorOperator::operator()(mrchem::OrbitalVector&)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp:219:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 219 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp: In member function 'mrchem::OrbitalVector mrchem::RankZeroTensorOperator::dagger(mrchem::OrbitalVector&)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp:239:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 239 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp: In member function 'mrchem::Orbital mrchem::RankZeroTensorOperator::applyOperTerm(int, mrchem::Orbital)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp:402:11: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 402 | if (n >= this->oper_exp.size()) MSG_ABORT("Invalid oper term"); | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp: In member function 'mrchem::Orbital mrchem::RankZeroTensorOperator::daggerOperTerm(int, mrchem::Orbital)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp:414:11: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 414 | if (n >= this->oper_exp.size()) MSG_ABORT("Invalid oper term"); | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp: In member function 'mrchem::ComplexDouble mrchem::RankZeroTensorOperator::traceOperTerm(int, const mrchem::Nuclei&)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.cpp:427:11: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 427 | if (n >= this->oper_exp.size()) MSG_ABORT("Invalid oper term"); | ~~^~~~~~~~~~~~~~~~~~~~~~~~ [ 22%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/RankOneTensorOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/RankOneTensorOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/RankOneTensorOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/RankOneTensorOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.cpp:26: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 23%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/RankTwoTensorOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/RankTwoTensorOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/RankTwoTensorOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/RankTwoTensorOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankTwoTensorOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankTwoTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankTwoTensorOperator.cpp:26: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 24%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/DeltaOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/DeltaOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/DeltaOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/DeltaOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/DeltaOperator.cpp [ 25%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/IdentityOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/IdentityOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/IdentityOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/IdentityOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/IdentityOperator.cpp [ 26%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/KineticOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/KineticOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/KineticOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/KineticOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/KineticOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/DeltaOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/DeltaOperator.cpp:5: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/IdentityOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/IdentityOperator.cpp:3: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/MomentumOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/KineticOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/KineticOperator.cpp:4: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 27%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NuclearOperator.cpp [ 28%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearGradientOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearGradientOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearGradientOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearGradientOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NuclearGradientOperator.cpp [ 29%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/MomentumOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/MomentumOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/MomentumOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/MomentumOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/MomentumOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NuclearOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NuclearOperator.cpp:4: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NuclearOperator.cpp: In constructor 'mrchem::NuclearPotential::NuclearPotential(const mrchem::Nuclei&, double, double, bool)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NuclearOperator.cpp:56:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 56 | for (int k = 0; k < nucs.size(); k++) { | ~~^~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NuclearGradientOperator.h:5, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NuclearGradientOperator.cpp:4: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 30%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NablaOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NablaOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/NablaOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/NablaOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NablaOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/MomentumOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/MomentumOperator.cpp:5: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 31%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/PositionOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/PositionOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/PositionOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/PositionOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/PositionOperator.cpp [ 32%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/DistanceOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/DistanceOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/DistanceOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/DistanceOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/DistanceOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NablaOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NablaOperator.cpp:5: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/PositionOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/PositionOperator.cpp:4: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 33%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/SpinOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/SpinOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/SpinOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/SpinOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/SpinOperator.cpp [ 34%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/QMPotential.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/QMPotential.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/QMPotential.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/QMPotential.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/QMPotential.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/DistanceOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/DistanceOperator.cpp:4: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 35%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/CoulombPotential.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/SpinOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/SpinOperator.cpp:4: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 36%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/CoulombPotentialD1.cpp [ 37%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/CoulombPotentialD2.cpp [ 38%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotential.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/qmoperators/two_electron/ExchangePotential.cpp [ 40%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD1.cpp [ 41%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/qmoperators/two_electron/ExchangePotentialD2.cpp [ 42%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/FockOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/FockOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/FockOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/FockOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/FockOperator.cpp /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function 'virtual void mrchem::ExchangePotentialD1::setupBank()': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD1.cpp:38:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 38 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function 'virtual int mrchem::ExchangePotentialD1::testInternal(mrchem::Orbital) const': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD1.cpp:58:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 58 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function 'mrchem::Orbital mrchem::ExchangePotentialD1::calcExchange(mrchem::Orbital)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD1.cpp:262:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 262 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD2.cpp: In member function 'virtual void mrchem::ExchangePotentialD2::setupBank()': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD2.cpp:47:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 47 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD2.cpp:51:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 51 | for (int i = 0; i < X.size(); i++) { | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD2.cpp:55:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 55 | for (int i = 0; i < Y.size(); i++) { | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD2.cpp: In member function 'virtual mrchem::Orbital mrchem::ExchangePotentialD2::apply(mrchem::Orbital)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD2.cpp:90:23: 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-1.0.2/src/qmoperators/two_electron/ExchangePotentialD2.cpp: In member function 'virtual mrchem::Orbital mrchem::ExchangePotentialD2::dagger(mrchem::Orbital)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangePotentialD2.cpp:151:23: 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++) { | ~~^~~~~~~~~~~~ [ 43%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/qmoperators/two_electron/XCPotential.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/CoulombOperator.h:6, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/FockOperator.cpp:4: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/FockOperator.cpp:7: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~ [ 44%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/qmoperators/two_electron/XCPotentialD1.cpp [ 45%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/qmoperators/two_electron/XCPotentialD2.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.cpp:1: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/src/qmoperators/two_electron/XCPotential.cpp: In member function 'mrchem::Density& mrchem::XCPotential::getDensity(DensityType, int)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.cpp:85:18: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 85 | if (dens_idx > densities.size()) MSG_ABORT("Invalid density index"); | ~~~~~~~~~^~~~~~~~~~~~~~~~~~ [ 46%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Factory.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotentialD1.cpp:4: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotentialD2.cpp:5: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~ [ 47%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.cpp [ 48%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/Functional.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/mrdft/Functional.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/Functional.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/Functional.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Functional.cpp [ 49%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/LDA.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/mrdft/LDA.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/LDA.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/LDA.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/LDA.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Factory.h:31, from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Factory.cpp:26: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.cpp:28: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/src/mrdft/MRDFT.cpp: In member function 'mrcpp::FunctionTreeVector<3> mrdft::MRDFT::evaluate(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.cpp:103:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector*>, std::allocator*> > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 103 | for (auto i = 0; i < ctrOutVec.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/LDA.cpp: In member function 'virtual void mrdft::LDA::preprocess(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~ [ 50%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/SpinLDA.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/mrdft/SpinLDA.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/SpinLDA.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/SpinLDA.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/SpinLDA.cpp [ 51%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/GGA.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/mrdft/GGA.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/GGA.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/GGA.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/GGA.cpp [ 52%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/SpinGGA.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/mrdft/SpinGGA.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/SpinGGA.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/SpinGGA.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/SpinGGA.cpp [ 53%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/xc_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/mrdft/xc_utils.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/xc_utils.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/xc_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/xc_utils.cpp /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/SpinLDA.cpp: In member function 'virtual void mrdft::SpinLDA::preprocess(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/GGA.cpp: In member function 'virtual void mrdft::GGA::preprocess(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/SpinGGA.cpp: In member function 'virtual void mrdft::SpinGGA::preprocess(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/xc_utils.cpp: In function 'std::vector*> mrdft::xc_utils::fetch_nodes(int, mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/src/mrdft/xc_utils.cpp: In function 'Eigen::MatrixXd mrdft::xc_utils::compress_nodes(std::vector*>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/src/mrdft/xc_utils.cpp: In function 'void mrdft::xc_utils::expand_nodes(std::vector*>&, Eigen::MatrixXd&)': /builddir/build/BUILD/mrchem-1.0.2/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"); | ~~~~~~~~~~~~~~~~^~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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++) { | ~~^~~~~~~~ [ 54%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/Accelerator.cpp [ 55%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/GroundStateSolver.cpp [ 56%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/HelmholtzVector.cpp [ 57%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/scf_solver/KAIN.cpp /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/src/scf_solver/Accelerator.cpp:132:31: warning: comparison of integer expressions of different signedness: 'std::deque, -1, -1> >::size_type' {aka 'long unsigned int'} and 'int' [-Wsign-compare] 132 | if (this->fock.size() != nHistory) MSG_ERROR("Size mismatch orbitals vs matrices"); | ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/Accelerator.cpp: In member function 'void mrchem::Accelerator::solveLinearSystem()': /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/Accelerator.cpp:238:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector, -1, -1> >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 238 | for (int n = 0; n < this->A.size(); n++) { | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/Accelerator.cpp: In member function 'void mrchem::Accelerator::sortLinearSystem(std::vector, -1, -1> >&, std::vector, -1, 1> >&)': /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/Accelerator.cpp:333:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector, -1, 1> >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 333 | for (int i = 0; i < b_vectors.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/Accelerator.cpp:344:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector, -1, 1> >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 344 | for (int i = 0; i < b_vectors.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/HelmholtzVector.cpp:36: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/HelmholtzVector.cpp: In member function 'mrchem::OrbitalVector mrchem::HelmholtzVector::operator()(mrchem::OrbitalVector&) const': /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/HelmholtzVector.cpp:78:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 78 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/HelmholtzVector.cpp: In member function 'mrchem::OrbitalVector mrchem::HelmholtzVector::apply(mrchem::RankZeroTensorOperator&, mrchem::OrbitalVector&, mrchem::OrbitalVector&) const': /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/HelmholtzVector.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++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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]; | ~~^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/FockOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/GroundStateSolver.cpp:36: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 58%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/LinearResponseSolver.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/FockOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/LinearResponseSolver.cpp:36: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 60%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/SCFSolver.cpp /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/SCFSolver.cpp: In member function 'double mrchem::SCFSolver::getUpdate(const std::vector&, int, bool) const': /builddir/build/BUILD/mrchem-1.0.2/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"); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/src/scf_solver/SCFSolver.cpp:200:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 200 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/SCFSolver.cpp:199:10: warning: variable 'conv_tot' set but not used [-Wunused-but-set-variable] 199 | bool conv_tot = true; | ^~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/SCFSolver.cpp: In member function 'void mrchem::SCFSolver::printConvergence(bool, const std::string&) const': /builddir/build/BUILD/mrchem-1.0.2/src/scf_solver/SCFSolver.cpp:282:27: warning: comparison of integer expressions of different signedness: 'int' and 'long unsigned int' [-Wsign-compare] 282 | for (int i = 0; i < nIter; i++) printConvergenceRow(i); | ~~^~~~~~~ [ 61%] Building CXX object src/CMakeFiles/mrchem.dir/utils/print_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/utils/print_utils.cpp [ 62%] Building CXX object src/CMakeFiles/mrchem.dir/utils/math_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/utils/math_utils.cpp [ 63%] Building CXX object src/CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/utils/NonlinearMaximizer.cpp [ 64%] Building CXX object src/CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/utils/RRMaximizer.cpp /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp: In member function 'int mrchem::NonlinearMaximizer::maximize()': /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp:154:28: warning: unused variable 'rr' [-Wunused-variable] 154 | double rr = r.transpose() * r; | ^~ /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp:144:29: warning: unused variable 'Hij' [-Wunused-variable] 144 | double pAp, Hij; | ^~~ /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp:44:12: warning: unused variable 'j' [-Wunused-variable] 44 | int i, j, k, l, iter, dcount; | ^ /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp:44:15: warning: unused variable 'k' [-Wunused-variable] 44 | int i, j, k, l, iter, dcount; | ^ /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp:44:18: warning: unused variable 'l' [-Wunused-variable] 44 | int i, j, k, l, iter, dcount; | ^ /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp:45:16: warning: unused variable 'h2' [-Wunused-variable] 45 | double mu, h2; | ^~ /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp:64:12: warning: unused variable 'lamb1' [-Wunused-variable] 64 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp:64:19: warning: unused variable 'sq' [-Wunused-variable] 64 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^~ /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp:64:23: warning: unused variable 'a' [-Wunused-variable] 64 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^ /builddir/build/BUILD/mrchem-1.0.2/src/utils/NonlinearMaximizer.cpp:64:26: warning: unused variable 'c' [-Wunused-variable] 64 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/PositionOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/utils/RRMaximizer.cpp:34: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/utils/RRMaximizer.cpp: In constructor 'mrchem::RRMaximizer::RRMaximizer(double, mrchem::OrbitalVector&)': /builddir/build/BUILD/mrchem-1.0.2/src/utils/RRMaximizer.cpp:75:31: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 75 | for (int j = 0; j < xPhi.size(); j++) { | ~~^~~~~~~~~~~~~ [ 65%] Building CXX object src/CMakeFiles/mrchem.dir/utils/gto_utils/AOBasis.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/utils/gto_utils/AOBasis.cpp [ 66%] Building CXX object src/CMakeFiles/mrchem.dir/utils/gto_utils/AOContraction.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/utils/gto_utils/AOContraction.cpp [ 67%] Building CXX object src/CMakeFiles/mrchem.dir/utils/gto_utils/Intgrl.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/utils/gto_utils/Intgrl.cpp [ 68%] Building CXX object src/CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/utils/gto_utils/OrbitalExp.cpp [ 69%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/initial_guess/chk.cpp [ 70%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/core.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/initial_guess/core.cpp [ 71%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/initial_guess/gto.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/MomentumOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/KineticOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/core.h:32, from /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/core.cpp:30: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~ [ 72%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/initial_guess/mw.cpp /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/gto.cpp: In function 'void mrchem::initial_guess::gto::project_mo(mrchem::OrbitalVector&, double, const std::string&, const std::string&)': /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/gto.cpp:151:19: warning: comparison of integer expressions of different signedness: 'Eigen::Index' {aka 'long int'} and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 151 | if (MO.cols() < Phi.size()) MSG_ABORT("Size mismatch"); | ~~~~~~~~~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/gto.cpp:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/gto.cpp: In function 'void mrchem::initial_guess::gto::project_ao(mrchem::OrbitalVector&, double, const std::string&)': /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/gto.cpp:194:24: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 194 | if (gto_exp.size() < Phi.size()) MSG_ABORT("Size mismatch"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/gto.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++) { | ~~^~~~~~~~~~~~ [ 73%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fPIC -fopenmp -std=c++14 -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-1.0.2/src/initial_guess/sad.cpp /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/mw.cpp: In function 'bool mrchem::initial_guess::mw::project_mo(mrchem::OrbitalVector&, double, const std::string&)': /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/mw.cpp:110:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 110 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/MomentumOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/KineticOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/core.h:32, from /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/sad.cpp:31: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/sad.cpp:46: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/src/initial_guess/sad.cpp: In function 'void mrchem::initial_guess::sad::project_atomic_densities(double, mrchem::Density&, const mrchem::Nuclei&)': /builddir/build/BUILD/mrchem-1.0.2/src/initial_guess/sad.cpp:181:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 181 | for (int k = 0; k < nucs.size(); k++) { | ~~^~~~~~~~~~~~~ [ 74%] Linking CXX static library ../lib64/libmrchem.a cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/cmake -P CMakeFiles/mrchem.dir/cmake_clean_target.cmake cd /builddir/build/BUILD/mrchem-1.0.2/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 CMakeFiles/mrchem.dir/chemistry/chemistry_utils.cpp.o CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o CMakeFiles/mrchem.dir/chemistry/Cavity.cpp.o CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o CMakeFiles/mrchem.dir/qmfunctions/QMFunction.cpp.o 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/RankZeroTensorOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/RankOneTensorOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/RankTwoTensorOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/DeltaOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/IdentityOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/KineticOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearGradientOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/MomentumOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/NablaOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/PositionOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/DistanceOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/SpinOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/QMPotential.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/FockOperator.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/mrdft/Factory.cpp.o CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o CMakeFiles/mrchem.dir/mrdft/Functional.cpp.o CMakeFiles/mrchem.dir/mrdft/LDA.cpp.o CMakeFiles/mrchem.dir/mrdft/SpinLDA.cpp.o CMakeFiles/mrchem.dir/mrdft/GGA.cpp.o CMakeFiles/mrchem.dir/mrdft/SpinGGA.cpp.o CMakeFiles/mrchem.dir/mrdft/xc_utils.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/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/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 /usr/bin/ranlib ../lib64/libmrchem.a gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' [ 74%] 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-1.0.2/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.0.2 /builddir/build/BUILD/mrchem-1.0.2/src 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/usr/lib64/libmrcpp.so.1 /usr/lib64/libxcfun.so.2 -lstdc++ -lm -lgcc_s -lgcc -lc -lgcc_s -lgcc -lc /usr/lib/gcc/riscv64-redhat-linux/12/libgomp.so /lib64/lp64d/libpthread.a /usr/lib/gcc/riscv64-redhat-linux/12/libatomic.so [ 81%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmfunctions/density.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmfunctions/density.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmfunctions/density.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmfunctions/density.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmfunctions/density.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' [ 81%] Built target mrchem-pilot.x [ 82%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmfunctions/orbital.cpp /builddir/build/BUILD/mrchem-1.0.2/tests/qmfunctions/density.cpp: In function 'void density_tests::C_A_T_C_H_T_E_S_T_0()': /builddir/build/BUILD/mrchem-1.0.2/tests/qmfunctions/density.cpp:42:18: warning: unused variable 'thrs' [-Wunused-variable] 42 | const double thrs = 1.0e-12; | ^~~~ [ 83%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital_vector.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital_vector.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmfunctions/orbital_vector.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmfunctions/orbital_vector.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmfunctions/orbital_vector.cpp /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/tests/qmfunctions/orbital_vector.cpp:256:27: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 256 | for (int n = 0; n < Phi.size(); n++) { | ~~^~~~~~~~~~~~ [ 84%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/identity_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/identity_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/identity_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/identity_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/identity_operator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/IdentityOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/identity_operator.cpp:34: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 85%] Linking CXX executable ../bin/mrchem.x cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/mrchem.x.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -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/libmrcpp.so.1 /usr/lib64/libxcfun.so.2 -lstdc++ -lm -lgcc_s -lgcc -lc -lgcc_s -lgcc -lc /usr/lib/gcc/riscv64-redhat-linux/12/libgomp.so /lib64/lp64d/libpthread.a /usr/lib/gcc/riscv64-redhat-linux/12/libatomic.so In file included from /usr/include/c++/12/string:40, from /usr/include/catch2/catch.hpp:477, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/identity_operator.cpp:26: In function 'std::char_traits::copy(char*, char const*, unsigned long)', inlined from 'std::__cxx11::basic_string, std::allocator >::_S_copy(char*, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.h:423:21, inlined from 'std::__cxx11::basic_string, std::allocator >::_S_copy(char*, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.h:418:7, inlined from 'std::__cxx11::basic_string, std::allocator >::_M_replace(unsigned long, unsigned long, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.tcc:532:22, inlined from 'std::__cxx11::basic_string, std::allocator >::assign(char const*)' at /usr/include/c++/12/bits/basic_string.h:1647:19, inlined from 'std::__cxx11::basic_string, std::allocator >::operator=(char const*)' at /usr/include/c++/12/bits/basic_string.h:815:28, inlined from 'mrchem::IdentityOperator::IdentityOperator()' at /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/IdentityOperator.h:29:20: /usr/include/c++/12/bits/char_traits.h:431:56: warning: 'memcpy' accessing 9223372036854775810 or more bytes at offsets -4611686018427387902 and [-4611686018427387903, 4611686018427387904] may overlap up to 9223372036854775813 bytes at offset -3 [-Wrestrict] 431 | return static_cast(__builtin_memcpy(__s1, __s2, __n)); | ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ [ 86%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/position_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/position_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/position_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/position_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/position_operator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/PositionOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/position_operator.cpp:35: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 87%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/momentum_operator.cpp [ 88%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/kinetic_operator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/MomentumOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/momentum_operator.cpp:37: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/MomentumOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/KineticOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/kinetic_operator.cpp:37: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/kinetic_operator.cpp: In function 'void kinetic_operator::C_A_T_C_H_T_E_S_T_0()': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~ [ 89%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/nuclear_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/nuclear_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/nuclear_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/nuclear_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/nuclear_operator.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/NuclearOperator.h:4, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/nuclear_operator.cpp:38: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 90%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/coulomb_operator.cpp /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/nuclear_operator.cpp: In function 'void nuclear_potential::C_A_T_C_H_T_E_S_T_0()': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/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-1.0.2/src/qmoperators/two_electron/CoulombOperator.h:6, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/coulomb_operator.cpp:37: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/coulomb_operator.cpp: In function 'void coulomb_potential::C_A_T_C_H_T_E_S_T_0()': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/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-1.0.2/tests/qmoperators/coulomb_operator.cpp:77:9: warning: unused variable 'i' [-Wunused-variable] 77 | int i = 0; | ^ [ 91%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/coulomb_hessian.cpp In file included from /usr/include/c++/12/string:40, from /usr/include/catch2/catch.hpp:477, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/coulomb_operator.cpp:26: In function 'std::char_traits::copy(char*, char const*, unsigned long)', inlined from 'std::__cxx11::basic_string, std::allocator >::_S_copy(char*, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.h:423:21, inlined from 'std::__cxx11::basic_string, std::allocator >::_S_copy(char*, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.h:418:7, inlined from 'std::__cxx11::basic_string, std::allocator >::_M_replace(unsigned long, unsigned long, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.tcc:532:22, inlined from 'std::__cxx11::basic_string, std::allocator >::assign(char const*)' at /usr/include/c++/12/bits/basic_string.h:1647:19, inlined from 'std::__cxx11::basic_string, std::allocator >::operator=(char const*)' at /usr/include/c++/12/bits/basic_string.h:815:28, inlined from 'mrchem::CoulombOperator::CoulombOperator(std::shared_ptr, std::shared_ptr > >, bool)' at /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/CoulombOperator.h:36:20: /usr/include/c++/12/bits/char_traits.h:431:56: warning: 'memcpy' accessing 9223372036854775810 or more bytes at offsets -4611686018427387902 and [-4611686018427387903, 4611686018427387904] may overlap up to 9223372036854775813 bytes at offset -3 [-Wrestrict] 431 | return static_cast(__builtin_memcpy(__s1, __s2, __n)); | ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/CoulombOperator.h:6, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/coulomb_hessian.cpp:37: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/coulomb_hessian.cpp: In function 'void coulomb_hessian::C_A_T_C_H_T_E_S_T_0()': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/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-1.0.2/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-1.0.2/tests/qmoperators/coulomb_hessian.cpp:97:9: warning: unused variable 'i' [-Wunused-variable] 97 | int i = 0; | ^ [ 92%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/exchange_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/exchange_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/exchange_operator.cpp In file included from /usr/include/c++/12/string:40, from /usr/include/catch2/catch.hpp:477, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/coulomb_hessian.cpp:26: In function 'std::char_traits::copy(char*, char const*, unsigned long)', inlined from 'std::__cxx11::basic_string, std::allocator >::_S_copy(char*, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.h:423:21, inlined from 'std::__cxx11::basic_string, std::allocator >::_S_copy(char*, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.h:418:7, inlined from 'std::__cxx11::basic_string, std::allocator >::_M_replace(unsigned long, unsigned long, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.tcc:532:22, inlined from 'std::__cxx11::basic_string, std::allocator >::assign(char const*)' at /usr/include/c++/12/bits/basic_string.h:1647:19, inlined from 'std::__cxx11::basic_string, std::allocator >::operator=(char const*)' at /usr/include/c++/12/bits/basic_string.h:815:28, inlined from 'mrchem::CoulombOperator::CoulombOperator(std::shared_ptr, std::shared_ptr > >, std::shared_ptr > >, std::shared_ptr > >, bool)' at /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/CoulombOperator.h:48:20: /usr/include/c++/12/bits/char_traits.h:431:56: warning: 'memcpy' accessing 9223372036854775810 or more bytes at offsets -4611686018427387902 and [-4611686018427387903, 4611686018427387904] may overlap up to 9223372036854775813 bytes at offset -3 [-Wrestrict] 431 | return static_cast(__builtin_memcpy(__s1, __s2, __n)); | ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangeOperator.h:5, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/exchange_operator.cpp:37: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/exchange_operator.cpp: In function 'void exchange_potential::C_A_T_C_H_T_E_S_T_0()': /builddir/build/BUILD/mrchem-1.0.2/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++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/tests/qmoperators/exchange_operator.cpp:48:15: warning: unused variable 'nShells' [-Wunused-variable] 48 | const int nShells = 2; | ^~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/exchange_operator.cpp:74:9: warning: unused variable 'i' [-Wunused-variable] 74 | int i = 0; | ^ [ 93%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/exchange_hessian.cpp In file included from /usr/include/c++/12/string:40, from /usr/include/catch2/catch.hpp:477, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/exchange_operator.cpp:26: In function 'std::char_traits::copy(char*, char const*, unsigned long)', inlined from 'std::__cxx11::basic_string, std::allocator >::_S_copy(char*, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.h:423:21, inlined from 'std::__cxx11::basic_string, std::allocator >::_S_copy(char*, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.h:418:7, inlined from 'std::__cxx11::basic_string, std::allocator >::_M_replace(unsigned long, unsigned long, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.tcc:532:22, inlined from 'std::__cxx11::basic_string, std::allocator >::assign(char const*)' at /usr/include/c++/12/bits/basic_string.h:1647:19, inlined from 'std::__cxx11::basic_string, std::allocator >::operator=(char const*)' at /usr/include/c++/12/bits/basic_string.h:815:28, inlined from 'mrchem::ExchangeOperator::ExchangeOperator(std::shared_ptr, std::shared_ptr > >, double)' at /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangeOperator.h:31:20: /usr/include/c++/12/bits/char_traits.h:431:56: warning: 'memcpy' accessing 9223372036854775810 or more bytes at offsets -4611686018427387902 and [-4611686018427387903, 4611686018427387904] may overlap up to 9223372036854775813 bytes at offset -3 [-Wrestrict] 431 | return static_cast(__builtin_memcpy(__s1, __s2, __n)); | ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ [ 94%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_lda.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_lda.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_lda.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_lda.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/xc_operator_lda.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangeOperator.h:5, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/exchange_hessian.cpp:37: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/exchange_hessian.cpp: In function 'void exchnage_hessian::C_A_T_C_H_T_E_S_T_0()': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/tests/qmoperators/exchange_hessian.cpp:107:9: warning: unused variable 'i' [-Wunused-variable] 107 | int i = 0; | ^ In file included from /usr/include/c++/12/string:40, from /usr/include/catch2/catch.hpp:477, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/exchange_hessian.cpp:26: In function 'std::char_traits::copy(char*, char const*, unsigned long)', inlined from 'std::__cxx11::basic_string, std::allocator >::_S_copy(char*, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.h:423:21, inlined from 'std::__cxx11::basic_string, std::allocator >::_S_copy(char*, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.h:418:7, inlined from 'std::__cxx11::basic_string, std::allocator >::_M_replace(unsigned long, unsigned long, char const*, unsigned long)' at /usr/include/c++/12/bits/basic_string.tcc:532:22, inlined from 'std::__cxx11::basic_string, std::allocator >::assign(char const*)' at /usr/include/c++/12/bits/basic_string.h:1647:19, inlined from 'std::__cxx11::basic_string, std::allocator >::operator=(char const*)' at /usr/include/c++/12/bits/basic_string.h:815:28, inlined from 'mrchem::ExchangeOperator::ExchangeOperator(std::shared_ptr, std::shared_ptr > >, std::shared_ptr > >, std::shared_ptr > >, double)' at /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/ExchangeOperator.h:44:20: /usr/include/c++/12/bits/char_traits.h:431:56: warning: 'memcpy' accessing 9223372036854775810 or more bytes at offsets -4611686018427387902 and [-4611686018427387903, 4611686018427387904] may overlap up to 9223372036854775813 bytes at offset -3 [-Wrestrict] 431 | return static_cast(__builtin_memcpy(__s1, __s2, __n)); | ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/xc_operator_lda.cpp:38: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~ [ 95%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_blyp.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_blyp.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_blyp.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_blyp.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/xc_operator_blyp.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCOperator.h:6: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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++) { | ~~^~~~~~~~~~~~ [ 96%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -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-1.0.2/tests/qmoperators/xc_hessian_lda.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' [ 96%] Built target mrchem.x [ 97%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o -c /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/xc_hessian_pbe.cpp In file included from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/xc_operator_blyp.cpp:39: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/src/qmoperators/two_electron/XCOperator.h:6: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/xc_hessian_lda.cpp:38: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/src/qmoperators/two_electron/XCOperator.h:6: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/tests/qmoperators/xc_hessian_lda.cpp:107:9: warning: unused variable 'i' [-Wunused-variable] 107 | int i = 0; | ^ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCPotential.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/two_electron/XCOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/xc_hessian_pbe.cpp:38: /builddir/build/BUILD/mrchem-1.0.2/src/mrdft/Grid.h: In member function 'void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)': /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/src/qmoperators/two_electron/XCOperator.h:6: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~~~ [ 98%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/electric_field_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.0.2/src -I/builddir/build/BUILD/mrchem-1.0.2/external/catch -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/include/catch2 -DNDEBUG -fopenmp -std=c++14 -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-1.0.2/tests/qmoperators/electric_field_operator.cpp /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/xc_hessian_pbe.cpp:106:9: warning: unused variable 'i' [-Wunused-variable] 106 | int i = 0; | ^ In file included from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankOneTensorOperator.h:28, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/PositionOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/H_E_dip.h:3, from /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/one_electron/ElectricFieldOperator.h:3, from /builddir/build/BUILD/mrchem-1.0.2/tests/qmoperators/electric_field_operator.cpp:36: /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator*(ComplexDouble, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:124:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 124 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator+(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:155:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 155 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:159:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 159 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: In function 'mrchem::RankZeroTensorOperator mrchem::operator-(RankZeroTensorOperator, RankZeroTensorOperator)': /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h:169:23: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector > >::size_type' {aka 'long unsigned int'} [-Wsign-compare] 169 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/src/qmoperators/RankZeroTensorOperator.h: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 < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.0.2/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-1.0.2/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-1.0.2/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++) { | ~~^~~~~~~~~~~~~ [100%] Linking CXX executable ../bin/mrchem-tests cd /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mrchem-tests.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects 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"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" -o ../bin/mrchem-tests ../lib64/libmrchem.a /usr/lib64/libmrcpp.so.1 /usr/lib64/libxcfun.so.2 -lstdc++ -lm -lgcc_s -lgcc -lc -lgcc_s -lgcc -lc /usr/lib/gcc/riscv64-redhat-linux/12/libgomp.so /lib64/lp64d/libpthread.a /usr/lib/gcc/riscv64-redhat-linux/12/libatomic.so gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' [100%] Built target mrchem-tests gmake[1]: Leaving directory '/builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build' /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build/CMakeFiles 0 + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.zWAQrG + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64 ++ dirname /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64 + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + 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-1.0.2 + DESTDIR=/builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64 + /usr/bin/cmake --install redhat-linux-build -- Install configuration: "Release" -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Fe.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Cu.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ne.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/S.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/F.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ca.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/V.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Si.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/P.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Be.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/As.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Si.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/B.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Br.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ni.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ti.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Se.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Mn.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/N.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Zn.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/K.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ga.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Br.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/H.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ge.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ar.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/As.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Cr.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ge.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Se.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Be.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/F.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Cl.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Zn.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Li.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Sc.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Fe.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/C.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Li.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Al.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Co.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ga.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/S.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ca.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ni.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Co.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Mn.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/He.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/O.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/He.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/B.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/C.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Cr.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/N.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/K.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Kr.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Kr.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/P.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ti.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Cl.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Al.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Mg.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Mg.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Cu.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/H.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/O.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ar.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Na.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Na.bas -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Ne.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/Sc.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/MRChem/sad_basis/V.dens -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib64/libmrchem.a -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/include/MRChem/driver.h -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/include/MRChem/mrchem.h -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/include/MRChem/mrenv.h -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/include/MRChem/parallel.h -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/include/MRChem/config.h -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/include/MRChem/version.h -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/bin/mrchem.x -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/bin/mrchem -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/docs -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/__init__.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/cli.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/api.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing/validation_plumbing.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing/pyparsing.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing/views.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing/types.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing/exceptions.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing/lexer.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing/validation.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing/atoms.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing/utils.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/input_parser/plumbing/getkw.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/__init__.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/cli.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/config.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/api.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/periodictable.py -- Installing: /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem/helpers.py + mkdir -p /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python3.11/site-packages + mv /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python/mrchem /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python3.11/site-packages + /usr/bin/find-debuginfo -j4 --strict-build-id -m -i --build-id-seed 1.0.2-5.fc37 --unique-debug-suffix -1.0.2-5.fc37.riscv64 --unique-debug-src-base mrchem-1.0.2-5.fc37.riscv64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/mrchem-1.0.2 extracting debug info from /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/bin/mrchem.x original debug info size: 143648kB, size after compression: 136692kB /usr/bin/sepdebugcrcfix: Updated 1 CRC32s, 0 CRC32s did match. 1401 blocks + /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 + /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 Bytecompiling .py files below /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/lib/python3.11 using python3.11 + /usr/lib/rpm/redhat/brp-python-hardlink Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.tPU9or + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -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 -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + 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-1.0.2 + export PYTHONPATH=/builddir/build/BUILD/mrchem-1.0.2/python/ + PYTHONPATH=/builddir/build/BUILD/mrchem-1.0.2/python/ + cat + cd redhat-linux-build + /usr/bin/ctest --output-on-failure --force-new-ctest-process '-j 1' Test project /builddir/build/BUILD/mrchem-1.0.2/redhat-linux-build Start 20: H_SCF_finite_electric_field 1/25 Test #20: H_SCF_finite_electric_field ...... Passed 56.94 sec Start 21: H2_SCF_HartreeFock 2/25 Test #21: H2_SCF_HartreeFock ............... Passed 216.10 sec Start 22: H2_static_polarizability_LDA 3/25 Test #22: H2_static_polarizability_LDA ..... Passed 253.93 sec Start 23: H2O_energy_BLYP 4/25 Test #23: H2O_energy_BLYP .................. Passed 249.30 sec Start 24: Li_SCF_PBE0 5/25 Test #24: Li_SCF_PBE0 ...................... Passed 326.32 sec Start 25: Li_static_polarizability_LDA 6/25 Test #25: Li_static_polarizability_LDA ..... Passed 548.17 sec Start 1: qmfunction 7/25 Test #1: qmfunction ....................... Passed 14.17 sec Start 2: density 8/25 Test #2: density .......................... Passed 7.40 sec Start 3: orbital 9/25 Test #3: orbital .......................... Passed 2.79 sec Start 4: orbital_vector 10/25 Test #4: orbital_vector ................... Passed 22.39 sec Start 5: identity_operator 11/25 Test #5: identity_operator ................ Passed 3.28 sec Start 6: position_operator 12/25 Test #6: position_operator ................ Passed 3.90 sec Start 7: momentum_operator 13/25 Test #7: momentum_operator ................ Passed 3.31 sec Start 8: kinetic_operator 14/25 Test #8: kinetic_operator ................. Passed 10.25 sec Start 9: nuclear_operator 15/25 Test #9: nuclear_operator ................. Passed 10.16 sec Start 10: coulomb_operator 16/25 Test #10: coulomb_operator ................. Passed 17.74 sec Start 11: coulomb_hessian 17/25 Test #11: coulomb_hessian .................. Passed 20.31 sec Start 12: exchange_operator 18/25 Test #12: exchange_operator ................ Passed 18.51 sec Start 13: exchange_hessian 19/25 Test #13: exchange_hessian ................. Passed 27.07 sec Start 14: xc_operator_lda 20/25 Test #14: xc_operator_lda .................. Passed 20.29 sec Start 15: xc_operator_blyp 21/25 Test #15: xc_operator_blyp ................. Passed 41.46 sec Start 16: xc_hessian_lda 22/25 Test #16: xc_hessian_lda ................... Passed 25.41 sec Start 17: xc_hessian_pbe 23/25 Test #17: xc_hessian_pbe ................... Passed 136.85 sec Start 18: electric_field_operator 24/25 Test #18: electric_field_operator .......... Passed 17.11 sec Start 19: electric_field_energy 25/25 Test #19: electric_field_energy ............ Passed 3.65 sec 100% tests passed, 0 tests failed out of 25 Label Time Summary: H2O_energy_BLYP = 249.30 sec*proc (1 test) H2_SCF_HartreeFock = 216.10 sec*proc (1 test) H2_static_polarizability_LDA = 253.93 sec*proc (1 test) Li_SCF_PBE0 = 326.32 sec*proc (1 test) Li_static_polarizability_LDA = 548.17 sec*proc (1 test) coulomb_hessian = 20.31 sec*proc (1 test) coulomb_operator = 17.74 sec*proc (1 test) density = 7.40 sec*proc (1 test) dft = 575.62 sec*proc (2 tests) electric_field = 56.94 sec*proc (1 test) electric_field_energy = 3.65 sec*proc (1 test) electric_field_operator = 17.11 sec*proc (1 test) energy = 791.72 sec*proc (3 tests) exchange_hessian = 27.07 sec*proc (1 test) exchange_operator = 18.51 sec*proc (1 test) gga = 249.30 sec*proc (1 test) h2_pol_lda = 253.93 sec*proc (1 test) h2_scf_hf = 216.10 sec*proc (1 test) h2o_energy_blyp = 249.30 sec*proc (1 test) h_el_field = 56.94 sec*proc (1 test) hartree_fock = 216.10 sec*proc (1 test) hf = 56.94 sec*proc (1 test) identity_operator = 3.28 sec*proc (1 test) integration = 1650.76 sec*proc (6 tests) kinetic_operator = 10.25 sec*proc (1 test) li_pol_lda = 548.17 sec*proc (1 test) li_scf_pbe0 = 326.32 sec*proc (1 test) momentum_operator = 3.31 sec*proc (1 test) mrchem = 1650.76 sec*proc (6 tests) nuclear_operator = 10.16 sec*proc (1 test) open_shell = 548.17 sec*proc (1 test) orbital = 2.79 sec*proc (1 test) orbital_vector = 22.39 sec*proc (1 test) polarizability = 802.10 sec*proc (2 tests) position_operator = 3.90 sec*proc (1 test) qmfunction = 14.17 sec*proc (1 test) scf = 599.36 sec*proc (3 tests) unit = 406.05 sec*proc (19 tests) xc_hessian_lda = 25.41 sec*proc (1 test) xc_hessian_pbe = 136.85 sec*proc (1 test) xc_operator_blyp = 41.46 sec*proc (1 test) xc_operator_lda = 20.29 sec*proc (1 test) Total Test time (real) = 2056.93 sec /builddir/build/BUILD/mrchem-1.0.2 Processing files: mrchem-1.0.2-5.fc37.riscv64 + cd - + RPM_EC=0 ++ jobs -p + exit 0 Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.z6gkhg + umask 022 + cd /builddir/build/BUILD + cd mrchem-1.0.2 + DOCDIR=/builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/doc/mrchem + export LC_ALL=C + LC_ALL=C + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/doc/mrchem + cp -pr CHANGELOG.md /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/doc/mrchem + cp -pr CONTRIBUTING.md /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/doc/mrchem + cp -pr README.md /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/doc/mrchem + cp -pr VERSION /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/doc/mrchem + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.UampJF + umask 022 + cd /builddir/build/BUILD + cd mrchem-1.0.2 + LICENSEDIR=/builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/licenses/mrchem + export LC_ALL=C + LC_ALL=C + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/licenses/mrchem + cp -pr LICENSE /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64/usr/share/licenses/mrchem + RPM_EC=0 ++ jobs -p + exit 0 Provides: mrchem = 1.0.2-5.fc37 mrchem(riscv-64) = 1.0.2-5.fc37 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) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(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_1.3.9)(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_3.4.9)(64bit) libxcfun.so.2()(64bit) python(abi) = 3.11 rtld(GNU_HASH) Processing files: mrchem-devel-1.0.2-5.fc37.riscv64 Provides: mrchem-devel = 1.0.2-5.fc37 mrchem-devel(riscv-64) = 1.0.2-5.fc37 mrchem-static(riscv-64) = 1.0.2-5.fc37 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: mrchem-data-1.0.2-5.fc37.noarch Provides: mrchem-data = 1.0.2-5.fc37 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: mrchem-debugsource-1.0.2-5.fc37.riscv64 Provides: mrchem-debugsource = 1.0.2-5.fc37 mrchem-debugsource(riscv-64) = 1.0.2-5.fc37 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: mrchem-debuginfo-1.0.2-5.fc37.riscv64 Provides: debuginfo(build-id) = a864b52ba8d70f81f2eceaead82d50e87381fdc7 mrchem-debuginfo = 1.0.2-5.fc37 mrchem-debuginfo(riscv-64) = 1.0.2-5.fc37 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: mrchem-debugsource(riscv-64) = 1.0.2-5.fc37 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64 Wrote: /builddir/build/RPMS/mrchem-debugsource-1.0.2-5.fc37.riscv64.rpm Wrote: /builddir/build/RPMS/mrchem-1.0.2-5.fc37.riscv64.rpm Wrote: /builddir/build/RPMS/mrchem-data-1.0.2-5.fc37.noarch.rpm Wrote: /builddir/build/RPMS/mrchem-devel-1.0.2-5.fc37.riscv64.rpm Wrote: /builddir/build/RPMS/mrchem-debuginfo-1.0.2-5.fc37.riscv64.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.Pyuq9f + umask 022 + cd /builddir/build/BUILD + cd mrchem-1.0.2 + /usr/bin/rm -rf /builddir/build/BUILDROOT/mrchem-1.0.2-5.fc37.riscv64 + RPM_EC=0 ++ jobs -p + exit 0 Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.TWx9qv + umask 022 + cd /builddir/build/BUILD + rm -rf mrchem-1.0.2 mrchem-1.0.2.gemspec + RPM_EC=0 ++ jobs -p + exit 0 Child return code was: 0