[CP2K-user] [CP2K:19266] CP2K version 2023.2 compile error

Jin-Soo Kim najujskim at gmail.com
Thu Sep 21 05:55:16 UTC 2023
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Dear users and developers,
I am trying to install CP2K version 2023.2 but continuosly failed.
According to the installation instruction 
(https://github.com/cp2k/cp2k/blob/master/INSTALL.md), 
I acquired the code, and ran toolchain script. (I couldn't install Docker 
container on my Linux CentOS 8 system)

I typed below commands:
cd cp2k-2023.2/tools/toolchain
./install_cp2k_toolchain.sh

Then I got below message:
----------------------------------------------------------
Done!
Now copy:
  cp /home/jinsookim/cp2k-2023.2/tools/toolchain/install/arch/* to the 
cp2k/arch/ directory
To use the installed tools and libraries and cp2k version
compiled with it you will first need to execute at the prompt:
  source /home/jinsookim/cp2k-2023.2/tools/toolchain/install/setup
To build CP2K you should change directory:
  cd cp2k/
  make -j 64 ARCH=local VERSION="ssmp sdbg psmp pdbg"

arch files for GPU enabled CUDA versions are named "local_cuda.*"
arch files for GPU enabled HIP versions are named "local_hip.*"
arch files for OpenCL (GPU) versions are named "local_opencl.*"
arch files for coverage versions are named "local_coverage.*"

Note that these pre-built arch files are for the GNU compiler, users have 
to adapt them for other compilers.
It is possible to use the provided CP2K arch files as guidance.
-------------------------------------------------------------------------------------------------------------------

Then I followed the instructions. 
However, when I type the command

make -j 64 ARCH=local VERSION="ssmp sdbg psmp pdbg"

it seems everything goes well at first, but soon I got error message below:
----------------------------------------------------------------------------------------------------------------------------------
/home/jinsookim/cp2k/src/csvr_system_types.F(42): error #6959: The array 
constructor must be a constant.   [RNG_STREAM_TYPE]
      TYPE(rng_stream_type)                   :: gaussian_rng_stream = 
rng_stream_type()
-----------------------------------------------------------------------^
/home/jinsookim/cp2k/tools/build_utils/fypp -n 
/home/jinsookim/cp2k/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90
compilation aborted for csvr_system_types.F90 (code 1)
make[3]: *** [/home/jinsookim/cp2k/Makefile:515: csvr_system_types.o] Error 
1
make[3]: *** Waiting for unfinished jobs....
/opt/intel/oneapi/mpi/2021.10.0/bin/mpiifort -fc=ifort -c -fPIC 
-fp-model=precise -g -qopenmp -traceback -xHost -O2 -funroll-loops     -m64 
-I/opt/intel/oneapi/mkl/2023.2.0/include 
-I'/home/jinsookim/cp2k/tools/toolchain/install/fftw-3.3.10/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/libxc-6.2.2/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/libxsmm-1.17/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/COSMA-2.6.6/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/gsl-2.7/include' 
-I/home/jinsookim/cp2k/tools/toolchain/install/hdf5-1.12.0/include 
-I/home/jinsookim/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include 
-I/home/jinsookim/cp2k/tools/toolchain/install/spglib-1.16.2/include 
-I'/home/jinsookim/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' 
-I/home/jinsookim/cp2k/tools/toolchain/install/sirius-7.4.3/include   
-D__LIBXSMM  -D__parallel -D__MPI_F08 -D__MKL -D__FFTW3  -D__SCALAPACK 
-D__FFTW3  -D__LIBINT -D__LIBXC -D__COSMA -D__ELPA  -D__GSL -D__HDF5 
-D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__SPFFT    -D__SPLA -D__SIRIUS   
-diag-disable=8291 -diag-disable=8293 -fpp -fpscomp logicals -free 
-D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Sep 21 14:40:36 KST 
2023\"" -D__COMPILE_HOST="\"master\"" 
-D__COMPILE_REVISION="\"git:6a2264c\"" 
-D__DATA_DIR="\"/home/jinsookim/cp2k/data\"" 
-D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/home/jinsookim/cp2k/src/' 
-I'/home/jinsookim/cp2k/obj/local/psmp/exts/dbcsr' pao_ml_neuralnet.F90
/opt/intel/oneapi/mpi/2021.10.0/bin/mpiifort -fc=ifort -c -fPIC 
-fp-model=precise -g -qopenmp -traceback -xHost -O2 -funroll-loops     -m64 
-I/opt/intel/oneapi/mkl/2023.2.0/include 
-I'/home/jinsookim/cp2k/tools/toolchain/install/fftw-3.3.10/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/libxc-6.2.2/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/libxsmm-1.17/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/COSMA-2.6.6/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/gsl-2.7/include' 
-I/home/jinsookim/cp2k/tools/toolchain/install/hdf5-1.12.0/include 
-I/home/jinsookim/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include 
-I/home/jinsookim/cp2k/tools/toolchain/install/spglib-1.16.2/include 
-I'/home/jinsookim/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' 
-I/home/jinsookim/cp2k/tools/toolchain/install/sirius-7.4.3/include   
-D__LIBXSMM  -D__parallel -D__MPI_F08 -D__MKL -D__FFTW3  -D__SCALAPACK 
-D__FFTW3  -D__LIBINT -D__LIBXC -D__COSMA -D__ELPA  -D__GSL -D__HDF5 
-D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__SPFFT    -D__SPLA -D__SIRIUS   
-diag-disable=8291 -diag-disable=8293 -fpp -fpscomp logicals -free 
-D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Sep 21 14:40:36 KST 
2023\"" -D__COMPILE_HOST="\"master\"" 
-D__COMPILE_REVISION="\"git:6a2264c\"" 
-D__DATA_DIR="\"/home/jinsookim/cp2k/data\"" 
-D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/home/jinsookim/cp2k/src/' 
-I'/home/jinsookim/cp2k/obj/local/psmp/exts/dbcsr' pao_ml_gaussprocess.F90
/opt/intel/oneapi/mpi/2021.10.0/bin/mpiifort -fc=ifort -c -fPIC 
-fp-model=precise -g -qopenmp -traceback -xHost -O2 -funroll-loops     -m64 
-I/opt/intel/oneapi/mkl/2023.2.0/include 
-I'/home/jinsookim/cp2k/tools/toolchain/install/fftw-3.3.10/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/libxc-6.2.2/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/libxsmm-1.17/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/COSMA-2.6.6/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/gsl-2.7/include' 
-I/home/jinsookim/cp2k/tools/toolchain/install/hdf5-1.12.0/include 
-I/home/jinsookim/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include 
-I/home/jinsookim/cp2k/tools/toolchain/install/spglib-1.16.2/include 
-I'/home/jinsookim/cp2k/tools/toolchain/install/SpFFT-1.0.6/include' 
-I'/home/jinsookim/cp2k/tools/toolchain/install/SpLA-1.5.5/include/spla' 
-I/home/jinsookim/cp2k/tools/toolchain/install/sirius-7.4.3/include   
-D__LIBXSMM  -D__parallel -D__MPI_F08 -D__MKL -D__FFTW3  -D__SCALAPACK 
-D__FFTW3  -D__LIBINT -D__LIBXC -D__COSMA -D__ELPA  -D__GSL -D__HDF5 
-D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__SPFFT    -D__SPLA -D__SIRIUS   
-diag-disable=8291 -diag-disable=8293 -fpp -fpscomp logicals -free 
-D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Sep 21 14:40:36 KST 
2023\"" -D__COMPILE_HOST="\"master\"" 
-D__COMPILE_REVISION="\"git:6a2264c\"" 
-D__DATA_DIR="\"/home/jinsookim/cp2k/data\"" 
-D__SHORT_FILE__="\"pao_input.F\"" -I'/home/jinsookim/cp2k/src/' 
-I'/home/jinsookim/cp2k/obj/local/psmp/exts/dbcsr' pao_input.F90
make[2]: *** [/home/jinsookim/cp2k/Makefile:146: all] Error 2
make[1]: *** [/home/jinsookim/cp2k/Makefile:128: sdbg] Error 2
make[1]: *** Waiting for unfinished jobs....
make[2]: *** [/home/jinsookim/cp2k/Makefile:146: all] Error 2
make[1]: *** [/home/jinsookim/cp2k/Makefile:128: pdbg] Error 2
make[2]: *** [/home/jinsookim/cp2k/Makefile:146: all] Error 2
make[1]: *** [/home/jinsookim/cp2k/Makefile:128: ssmp] Error 2
make[2]: *** [/home/jinsookim/cp2k/Makefile:146: all] Error 2
make[1]: *** [/home/jinsookim/cp2k/Makefile:128: psmp] Error 2
make: *** [Makefile:123: all] Error 2
---------------------------------------------------------------------------------------------------------------------------------------

I don't know what to do next. Please help me~~~

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