Dear users and developers,<div>I am trying to install CP2K version 2023.2 but continuosly failed.</div><div>According to the installation instruction (https://github.com/cp2k/cp2k/blob/master/INSTALL.md), </div><div>I acquired the code, and ran toolchain script. (I couldn't install Docker container on my Linux CentOS 8 system)</div><div><br /></div><div>I typed below commands:</div><div>cd cp2k-2023.2/tools/toolchain<br />./install_cp2k_toolchain.sh<br /></div><div><br /></div><div>Then I got below message:</div><div>----------------------------------------------------------</div><div>Done!<br />Now copy:<br /> cp /home/jinsookim/cp2k-2023.2/tools/toolchain/install/arch/* to the cp2k/arch/ directory<br />To use the installed tools and libraries and cp2k version<br />compiled with it you will first need to execute at the prompt:<br /> source /home/jinsookim/cp2k-2023.2/tools/toolchain/install/setup<br />To build CP2K you should change directory:<br /> cd cp2k/<br /> make -j 64 ARCH=local VERSION="ssmp sdbg psmp pdbg"<br /><br />arch files for GPU enabled CUDA versions are named "local_cuda.*"<br />arch files for GPU enabled HIP versions are named "local_hip.*"<br />arch files for OpenCL (GPU) versions are named "local_opencl.*"<br />arch files for coverage versions are named "local_coverage.*"<br /><br />Note that these pre-built arch files are for the GNU compiler, users have to adapt them for other compilers.<br />It is possible to use the provided CP2K arch files as guidance.<br /></div><div>-------------------------------------------------------------------------------------------------------------------</div><div><br /></div><div>Then I followed the instructions. </div><div>However, when I type the command<br /><br /></div><div>make -j 64 ARCH=local VERSION="ssmp sdbg psmp pdbg"<br /><br /></div><div>it seems everything goes well at first, but soon I got error message below:</div><div>----------------------------------------------------------------------------------------------------------------------------------</div><div>/home/jinsookim/cp2k/src/csvr_system_types.F(42): error #6959: The array constructor must be a constant. [RNG_STREAM_TYPE]<br /> TYPE(rng_stream_type) :: gaussian_rng_stream = rng_stream_type()<br />-----------------------------------------------------------------------^<br />/home/jinsookim/cp2k/tools/build_utils/fypp -n /home/jinsookim/cp2k/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90<br />compilation aborted for csvr_system_types.F90 (code 1)<br />make[3]: *** [/home/jinsookim/cp2k/Makefile:515: csvr_system_types.o] Error 1<br />make[3]: *** Waiting for unfinished jobs....<br />/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<br />/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<br />/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<br />make[2]: *** [/home/jinsookim/cp2k/Makefile:146: all] Error 2<br />make[1]: *** [/home/jinsookim/cp2k/Makefile:128: sdbg] Error 2<br />make[1]: *** Waiting for unfinished jobs....<br />make[2]: *** [/home/jinsookim/cp2k/Makefile:146: all] Error 2<br />make[1]: *** [/home/jinsookim/cp2k/Makefile:128: pdbg] Error 2<br />make[2]: *** [/home/jinsookim/cp2k/Makefile:146: all] Error 2<br />make[1]: *** [/home/jinsookim/cp2k/Makefile:128: ssmp] Error 2<br />make[2]: *** [/home/jinsookim/cp2k/Makefile:146: all] Error 2<br />make[1]: *** [/home/jinsookim/cp2k/Makefile:128: psmp] Error 2<br />make: *** [Makefile:123: all] Error 2<br /></div><div>---------------------------------------------------------------------------------------------------------------------------------------</div><div><br /></div><div>I don't know what to do next. Please help me~~~</div> <p></p> -- <br /> You received this message because you are subscribed to the Google Groups "cp2k" group.<br /> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br /> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/39fc5441-c13c-45c6-9b36-f07e3f435ac8n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/39fc5441-c13c-45c6-9b36-f07e3f435ac8n%40googlegroups.com</a>.<br />