<div>Dear Arno,</div><div>Could you add an exception for the older GCC compilers of version (append "
<span style="font-family: "Courier New";"> || (__GNUC__ == 10 && __GNUC_MINOR__ < 5)</span>" to the condition of the preprocessor)? Does this issue vanish? If the same error occurs at other spots but in the same context, try to add this fix as well.</div><div>Best,</div><div>Frederick<br /></div><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">Arno schrieb am Montag, 17. Juni 2024 um 14:42:03 UTC+2:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hello, <div><br></div><div>I am running into the following compilation error when trying to build CP2K v2024.1 with GCC 10.2.0:</div><div><br></div><div><font face="Courier New">/mnt/lustre/e1000/home/z04/shared/cp2k/cp2k-2024.1/src/cp_eri_mme_interface.F:25:7:</font></div><div><p><font face="Courier New"> 25 | USE eri_mme_test, ONLY: eri_mme_2c_perf_acc_test,&<br> | 1<br>Error: The rank of the element in the structure constructor at (1) does not match that of the component (0/1)<br></font><br>I believe this relates to the following in cp_eri_mme_interface.F:<br></p><p><font face="Courier New">TYPE cp_eri_mme_param<br> TYPE(cp_logger_type), POINTER :: logger => NULL()</font><br><span style="font-family:"Courier New""> ! There is a bug with some older compilers preventing a default initialization of derived types with allocatable components <br></span><span style="font-family:"Courier New"">#if __GNUC__ < 9 || (__GNUC__ == 9 && __GNUC_MINOR__ < 5)<br></span><span style="font-family:"Courier New""> TYPE(eri_mme_param) :: par<br></span><span style="font-family:"Courier New"">#else<br></span><span style="font-family:"Courier New""> TYPE(eri_mme_param) :: par = eri_mme_param()<br></span><span style="font-family:"Courier New"">#endif</span></p><p>
</p><p>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. <br><br>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? </p><p>The full compilation command is as follows (I have checked that the mpifort command is indeed using GCC 10.2.0): </p><p><font face="Courier New">/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</font><br></p><p>This follows a toolchain build of the dependencies using the following command:<br><br><font face="Courier New">./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 </font><br></p><p>For completeness I have attached attached the ARCH file and toolchain-installed setup file that I am sourcing prior to the CP2K build.</p><p>Many thanks in advance, </p><p>Arno</p><p><br></p><p><br></p></div></blockquote></div>
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