Dear all,<div><br></div><div>I'm having an error when compiling cp2k-8.1 on centos7. </div><div><br></div><div>Here's the error message:</div><div> <p>/home/wu801/Software/cp2k-8.1/lib/local/sdbg/exts/dbcsr/libdbcsr.a(dbcsr_mpiwrap.o): In function `__dbcsr_mpiwrap_MOD_mp_abort':</p> <p>/home/wu801/Software/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:757: undefined reference to `_gfortran_stop_numeric_f08'</p> <p>/usr/bin/ld: link errors found, deleting executable `/home/wu801/Software/cp2k-8.1/exe/local/cp2k.sdbg'</p> <p>/usr/bin/sha1sum: /home/wu801/Software/cp2k-8.1/exe/local/cp2k.sdbg: No such file or directory</p> <p>collect2: error: ld returned 1 exit status</p> <p>make[3]: *** [/home/wu801/Software/cp2k-8.1/exe/local/cp2k.sdbg] Error 1</p> <p>make[3]: *** Waiting for unfinished jobs....</p> <p>/home/wu801/Software/cp2k-8.1/lib/local/sdbg/exts/dbcsr/libdbcsr.a(dbcsr_mpiwrap.o): In function `__dbcsr_mpiwrap_MOD_mp_abort':</p> <p>/home/wu801/Software/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:757: undefined reference to `_gfortran_stop_numeric_f08'</p> <p>/usr/bin/ld: link errors found, deleting executable `/home/wu801/Software/cp2k-8.1/exe/local/libcp2k_unittest.sdbg'</p> <p>/usr/bin/sha1sum: /home/wu801/Software/cp2k-8.1/exe/local/libcp2k_unittest.sdbg: No such file or directory</p> <p>collect2: error: ld returned 1 exit status</p> <p>make[3]: *** [/home/wu801/Software/cp2k-8.1/exe/local/libcp2k_unittest.sdbg] Error 1</p> <p>make[2]: *** [all] Error 2</p> <p>make[1]: *** [sdbg] Error 2</p> <p>make: *** [all] Error 2</p><p><br></p><p><br></p><p>My ARCH file is:</p><p>CC = mpicc</p><p>CXX = mpiCC</p><p>AR = ar -r</p><p>FC = mpif90</p><p>LD = mpif90</p><p>#</p><p>DFLAGS = -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__LIBVORI -D__HAS_IEEE_EXCEPTIONS -D__CHECK_DIAG </p><p>#</p><p>WFLAGS = -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only </p><p>#</p><p>FCDEBFLAGS = -fbacktrace -ffree-form -fimplicit-none -std=f2008 -fsanitize=leak -fcheck=all,no-array-temps -ffpe-trap=invalid,zero,overflow -finit-real=snan -finit-integer=-42 -Werror=realloc-lhs -finline-matmul-limit=0</p><p>CFLAGS = -march=native -mtune=native -fno-omit-frame-pointer -g -O1 -fopenmp -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/openblas-0.3.10/include' -I'/apps/spack/brown/apps/fftw/3.3.7-gcc-6.3.0-d6vmivd/include' -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libxc-4.3.4/include' -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libxsmm-1.16.1/include' -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/cosma-2.2.0/include' -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/gsl-2.6/include' -I/home/wu801/Software/cp2k-8.1/tools/toolchain/install/hdf5-1.12.0/include -I/home/wu801/Software/cp2k-8.1/tools/toolchain/install/spglib-1.16.0/include -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/SpFFT-0.9.13/include' -std=c99 -Wall -Wextra -Werror $(DFLAGS)</p><p>FCFLAGS = -march=native -mtune=native -fno-omit-frame-pointer -g -O1 -fopenmp -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/openblas-0.3.10/include' -I'/apps/spack/brown/apps/fftw/3.3.7-gcc-6.3.0-d6vmivd/include' -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libxc-4.3.4/include' -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libxsmm-1.16.1/include' -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/cosma-2.2.0/include' -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/gsl-2.6/include' -I/home/wu801/Software/cp2k-8.1/tools/toolchain/install/hdf5-1.12.0/include -I/home/wu801/Software/cp2k-8.1/tools/toolchain/install/spglib-1.16.0/include -I'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/SpFFT-0.9.13/include' $(FCDEBFLAGS) $(WFLAGS) $(DFLAGS)</p><p>#</p><p>LDFLAGS = $(FCFLAGS) -Wl,--enable-new-dtags -L'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/openblas-0.3.10/lib' -Wl,-rpath='/home/wu801/Software/cp2k-8.1/tools/toolchain/install/openblas-0.3.10/lib' -L'/apps/spack/brown/apps/fftw/3.3.7-gcc-6.3.0-d6vmivd/lib' -Wl,-rpath='/apps/spack/brown/apps/fftw/3.3.7-gcc-6.3.0-d6vmivd/lib' -L'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/lib' -L'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libxc-4.3.4/lib' -Wl,-rpath='/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libxc-4.3.4/lib' -L'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libxsmm-1.16.1/lib' -Wl,-rpath='/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libxsmm-1.16.1/lib' -L'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/cosma-2.2.0/lib' -Wl,-rpath='/home/wu801/Software/cp2k-8.1/tools/toolchain/install/cosma-2.2.0/lib' -L'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/gsl-2.6/lib' -Wl,-rpath='/home/wu801/Software/cp2k-8.1/tools/toolchain/install/gsl-2.6/lib' -L'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/hdf5-1.12.0/lib' -Wl,-rpath='/home/wu801/Software/cp2k-8.1/tools/toolchain/install/hdf5-1.12.0/lib' -L'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/spglib-1.16.0/lib' -Wl,-rpath='/home/wu801/Software/cp2k-8.1/tools/toolchain/install/spglib-1.16.0/lib' -L'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libvori-201229/lib' -Wl,-rpath='/home/wu801/Software/cp2k-8.1/tools/toolchain/install/libvori-201229/lib' -L'/home/wu801/Software/cp2k-8.1/tools/toolchain/install/SpFFT-0.9.13/lib' -Wl,-rpath='/home/wu801/Software/cp2k-8.1/tools/toolchain/install/SpFFT-0.9.13/lib' </p><p>LIBS = -lsymspg -lxsmmf -lxsmm -ldl -lpthread -lxcf03 -lxc -lint2 -lfftw3 -lfftw3_omp -lopenblas -lvori -lstdc++ -lstdc++</p><p>#</p><p>FYPPFLAGS = -n --line-marker-format=gfortran5</p></div><div><br></div><div>Could you give me advice on how to proceed?</div><div><br></div><div>Thank you and best regards,</div><div>Lucas Wu</div>