Compilation error version 8.1
Lucas Wu
/home/wu801/Software/cp2k-8.1/lib/local/sdbg/exts/dbcsr/libdbcsr.a(dbcsr_mpiwrap.o): In function `__dbcsr_mpiwrap_MOD_mp_abort':
/home/wu801/Software/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:757: undefined reference to `_gfortran_stop_numeric_f08'
/usr/bin/ld: link errors found, deleting executable `/home/wu801/Software/cp2k-8.1/exe/local/cp2k.sdbg'
/usr/bin/sha1sum: /home/wu801/Software/cp2k-8.1/exe/local/cp2k.sdbg: No such file or directory
collect2: error: ld returned 1 exit status
make[3]: *** [/home/wu801/Software/cp2k-8.1/exe/local/cp2k.sdbg] Error 1
make[3]: *** Waiting for unfinished jobs....
/home/wu801/Software/cp2k-8.1/lib/local/sdbg/exts/dbcsr/libdbcsr.a(dbcsr_mpiwrap.o): In function `__dbcsr_mpiwrap_MOD_mp_abort':
/home/wu801/Software/cp2k-8.1/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:757: undefined reference to `_gfortran_stop_numeric_f08'
/usr/bin/ld: link errors found, deleting executable `/home/wu801/Software/cp2k-8.1/exe/local/libcp2k_unittest.sdbg'
/usr/bin/sha1sum: /home/wu801/Software/cp2k-8.1/exe/local/libcp2k_unittest.sdbg: No such file or directory
collect2: error: ld returned 1 exit status
make[3]: *** [/home/wu801/Software/cp2k-8.1/exe/local/libcp2k_unittest.sdbg] Error 1
make[2]: *** [all] Error 2
make[1]: *** [sdbg] Error 2
make: *** [all] Error 2
My ARCH file is:
CC = mpicc
CXX = mpiCC
AR = ar -r
FC = mpif90
LD = mpif90
#
DFLAGS = -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__LIBVORI -D__HAS_IEEE_EXCEPTIONS -D__CHECK_DIAG
#
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
#
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
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)
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)
#
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'
LIBS = -lsymspg -lxsmmf -lxsmm -ldl -lpthread -lxcf03 -lxc -lint2 -lfftw3 -lfftw3_omp -lopenblas -lvori -lstdc++ -lstdc++
#
FYPPFLAGS = -n --line-marker-format=gfortran5
Tiziano Müller
can you please post the output of:
which mpif90
mpif90 --version
which python3
and/or make sure that do not have an Anaconda-environment enabled when
building CP2K?
The problem seems to be that the compiler tries to link the CP2K
executable against an older version of libgfortran. Usually the compiler
(called by the mpif90 wrapper) provides this library, which makes it a
bit weird.
One way this could happen is if some other environment with its own
libgfortran is loaded (like a conda-environment), hence checking the
compiler version.
Best,
Tiziano
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--
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich
Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano...@chem.uzh.ch