[CP2K-user] compiling cp2k 7.1

[Li Mengxuan]

Dear cp2k users and developers,

I'm trying to compile cp2k 7.1 using gcc/9.3.0, intel-mpi/2019. I have 
installed all the pre-requisites. But one error occured when compiling the 
cp2k local version 'popt psmp'.

Discovering programs ...
make -C /rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/exts/dbcsr \
  
 INCLUDEMAKE=/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/arch/local.psmp 
\
  
 LIBDIR=/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/lib/local/psmp/exts/dbcsr 
\
  
 OBJDIR=/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/obj/local/psmp/exts/dbcsr 
\
  
 FYPPEXE=/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/build_utils/fypp
make -C /rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/exts/dbcsr \
  
 INCLUDEMAKE=/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/arch/local.popt 
\
  
 LIBDIR=/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/lib/local/popt/exts/dbcsr 
\
  
 OBJDIR=/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/obj/local/popt/exts/dbcsr 
\
  
 FYPPEXE=/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/build_utils/fypp
Removing stale archives for popt ...
Removing stale archives for psmp ...
Resolving dependencies for popt ...
Resolving dependencies for psmp ...
Removing stale archives ...
Removing stale archives ...
Resolving dependencies ...
Resolving dependencies ...
/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/build_utils/fypp -n 
--line-marker-format=gfortran5 
/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/exts/dbcsr/src/core/dbcsr_dict.F 
dbcsr_dict.F90
/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/build_utils/fypp -n 
--line-marker-format=gfortran5 
/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/exts/dbcsr/src/utils/dbcsr_array_sort.F 
dbcsr_array_sort.F90
mpif90 -c -march=native -fno-omit-frame-pointer -g  -O3 -funroll-loops  
-fopenmp  -m64 
-I/apps/intel/2020.2/compilers_and_libraries_2020.2.254/linux/mkl/include 
-I/apps/intel/2020.2/compilers_and_libraries_2020.2.254/linux/mkl/include/fftw 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/fftw-3.3.8/include' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/SpFFT-0.9.8/include' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/libxc-4.3.4/include' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/libxsmm-1.14/include' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/elpa-2019.05.001/include/elpa_openmp-2019.05.001/modules' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/elpa-2019.05.001/include/elpa_openmp-2019.05.001/elpa' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/gsl-2.5/include' 
-I/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/spglib-1.12.2/include 
-I/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/hdf5-1.10.4/include 
-I/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/libvdwxc-0.4.0/include 
-I/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/sirius-6.4.1/include 
-ffree-form -std=f2008 -fimplicit-none  -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 
-Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only  
-D__LIBXSMM  -D__SCALAPACK -D__FFTW3  -D__SPFFT -D__LIBINT -D__LIBXC 
-D__ELPA -D__GSL -D__SPGLIB -D__HDF5 -D__LIBVDWXC -D__SIRIUS  
 -D__SHORT_FILE__="\"dbcsr_array_sort.F\"" 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/exts/dbcsr/src/utils/' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/exts/dbcsr/src' 
dbcsr_array_sort.F90
mpif90 -c -march=native -fno-omit-frame-pointer -g  -O3 -funroll-loops    
-m64 
-I/apps/intel/2020.2/compilers_and_libraries_2020.2.254/linux/mkl/include 
-I/apps/intel/2020.2/compilers_and_libraries_2020.2.254/linux/mkl/include/fftw 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/fftw-3.3.8/include' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/SpFFT-0.9.8/include' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/libxc-4.3.4/include' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/libxsmm-1.14/include' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/elpa-2019.05.001/include/elpa-2019.05.001/modules' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/elpa-2019.05.001/include/elpa-2019.05.001/elpa' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/gsl-2.5/include' 
-I/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/spglib-1.12.2/include 
-I/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/tools/toolchain/install/hdf5-1.10.4/include  
 -ffree-form -std=f2008 -fimplicit-none  -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 
-Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only  
-D__LIBXSMM  -D__SCALAPACK -D__FFTW3   -D__LIBINT -D__LIBXC -D__ELPA  
-D__SPGLIB      -D__SHORT_FILE__="\"dbcsr_dict.F\"" 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/exts/dbcsr/src/core/' 
-I'/rds/general/user/ml1019/home/cp2k_7.1/cp2k-7.1/exts/dbcsr/src' 
dbcsr_dict.F90
f951: Fatal Error: Reading module ‘dbcsr_kinds’ at line 1 column 2: 
Unexpected EOF
compilation terminated.
make[4]: *** [dbcsr_array_sort.o] Error 1
make[3]: *** [libdbcsr] Error 2
make[2]: *** [dbcsr] Error 2
make[2]: *** Waiting for unfinished jobs....
f951: Fatal Error: Reading module ‘dbcsr_kinds’ at line 1 column 2: 
Unexpected EOF
compilation terminated.
make[4]: *** [dbcsr_dict.o] Error 1
make[3]: *** [libdbcsr] Error 2
make[2]: *** [dbcsr] Error 2
make[2]: *** Waiting for unfinished jobs....
make[1]: *** [popt] Error 2
make[1]: *** Waiting for unfinished jobs....
make[1]: *** [psmp] Error 2
make: *** [all] Error 2

Thanks for your help.

Best regards,
Mengxuan.

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