[CP2K-user] Compilation error version 8.1

[Lucas Wu]

Dear all,

I'm having an error when compiling cp2k-8.1 on centos7. 

Here's the error message:

/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

Could you give me advice on how to proceed?

Thank you and best regards,
Lucas Wu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210114/a4d088de/attachment.htm>