Hello, <div> </div><div>I am running into the following compilation error when trying to build CP2K v2024.1 with GCC 10.2.0:</div><div> </div><div>/mnt/lustre/e1000/home/z04/shared/cp2k/cp2k-2024.1/src/cp_eri_mme_interface.F:25:7:</div><div> 25 | USE eri_mme_test, ONLY: eri_mme_2c_perf_acc_test,& | 1 Error: The rank of the element in the structure constructor at (1) does not match that of the component (0/1) I believe this relates to the following in cp_eri_mme_interface.F: TYPE cp_eri_mme_param TYPE(cp_logger_type), POINTER :: logger => NULL() ! There is a bug with some older compilers preventing a default initialization of derived types with allocatable components #if __GNUC__ < 9 || (__GNUC__ == 9 && __GNUC_MINOR__ < 5) TYPE(eri_mme_param) :: par #else TYPE(eri_mme_param) :: par = eri_mme_param() #endif Based on this and your successful builds of CP2K v2024.1 with GCC 9.5 and 10.5 in the dashboard I would not expect this to fail. Would you be able to advise on how to resolve this, short of using another version of GCC? Is GCC 10.2.0 perhaps an edge case of a version that has the same bug that is not caught by the above workaround? The full compilation command is as follows (I have checked that the mpifort command is indeed using GCC 10.2.0): /work/y07/shared/cirrus-software/openmpi/4.1.6/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I/work/y07/shared/cirrus-software/openmpi/4.1.6/include -pthread -m64 -I/mnt/lustre/e1000/home/y07/shared/cirrus-software/oneapi/mkl/2024.0/include -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/fftw-3.3.10/include' -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/libxc-6.2.2/include' -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/libgrpp-main-20231215/include' -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/libxsmm-1.17/include' -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/COSMA-2.6.6/include' -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/gsl-2.7/include' -I/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/hdf5-1.14.2/include -I/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/libvdwxc-0.4.0/include -I/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/spglib-1.16.2/include -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/SpFFT-1.0.6/include' -I'/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/SpLA-1.5.5/include/spla' -I/work/z04/shared/cp2k/cp2k-2024.1/tools/toolchain/install/sirius-7.4.3/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -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=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__MPI_F08 -D__MKL -D__FFTW3 -D__SCALAPACK -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__COSMA -D__ELPA -D__GSL -D__PLUMED2 -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI -D__SPFFT -D__SPLA -D__SIRIUS -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu May 9 17:32:33 BST 2024\"" -D__COMPILE_HOST="\"cirrus-login1\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/mnt/lustre/e1000/home/z04/shared/cp2k/cp2k-2024.1/data\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/mnt/lustre/e1000/home/z04/shared/cp2k/cp2k-2024.1/src/' -I'/mnt/lustre/e1000/home/z04/shared/cp2k/cp2k-2024.1/obj/local/psmp/exts/dbcsr' cp_eri_mme_interface.F90 This follows a toolchain build of the dependencies using the following command: ./install_cp2k_toolchain.sh -j 18 --with-gcc=system --mpi-mode=openmpi --with-openmpi=system --math-mode=mkl --with-mkl=system --with-openblas=no --with-plumed For completeness I have attached attached the ARCH file and toolchain-installed setup file that I am sourcing prior to the CP2K build.Many thanks in advance, Arno </div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. 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>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/2ba4c91d-69a3-4647-be24-a3b8c6cb8a99n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/2ba4c91d-69a3-4647-be24-a3b8c6cb8a99n%40googlegroups.com</a>.