Dear Christoph,
This problem relates to the path to libs. I usually follow the instruction in the make.inc file: # Top QE directory, useful for locating libraries, linking QE with plugins # The following syntax should always point to TOPDIR: #TOPDIR = $(dir $(abspath $(filter %make.inc,$(MAKEFILE_LIST)))) # if it doesn't work, uncomment the following line (edit if needed): TOPDIR = /home/mahmoud/QE68 Bests Mahmoud Payami From: Christoph Wolf <wolf.christoph@qns.science> To: Quantum Espresso users Forum <users@lists.quantum-espresso.org> Date: Sat, 9 Oct 2021 15:00:54 +0900 Subject: [QE-users] QE 6.8: compilation error in force_hub_gpu.f90 Dear all, I tried to compile the newest version of QE using intel compilers but I am running into a problem when executing make pw: mpiifort -O2 -assume byterecl -g -traceback -nomodule -fpp -D__DFTI -D__MPI -I/usr/local/qe-6.8/q-e//external/devxlib/src -I/usr/local/qe-6.8/q-e//include -I/usr/local/qe-6.8/q-e//FoX/finclude -I/usr/local/intel/mkl/include -I/usr/local/qe-6.8/q-e//upflib -I/usr/local/qe-6.8/q-e//XClib -I/usr/local/qe-6.8/q-e//Modules -I/usr/local/qe-6.8/q-e//FFTXlib -I/usr/local/qe-6.8/q-e//LAXlib -I/usr/local/qe-6.8/q-e//UtilXlib -I/usr/local/qe-6.8/q-e//MBD -I/usr/local/qe-6.8/q-e//FoX/finclude -I../../dft-d3/ -c force_hub_gpu.f90 force_hub_gpu.f90(1543): catastrophic error: **Internal compiler error: internal abort** Please report this error along with the circumstances in which it occurred in a Software Problem Report. Note: File and line given may not be explicit cause of this error. compilation aborted for force_hub_gpu.f90 (code 1) I am not compiling for GPU, so I am not entirely sure what triggers this... configure output attached at the end. Thanks for any help! Chris checking build system type... x86_64-pc-linux-gnu checking ARCH... x86_64 checking setting AR... ... ar checking setting ARFLAGS... ... ruv checking for gfortran... gfortran checking whether the Fortran compiler works... yes checking for Fortran compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether we are using the GNU Fortran compiler... yes checking whether gfortran accepts -g... yes checking for mpiifort... mpiifort checking whether we are using the GNU Fortran compiler... no checking whether mpiifort accepts -g... yes checking version of mpiifort... ifort 19 checking for Fortran flag to compile .f90 files... none setting F90... ifort setting MPIF90... mpiifort checking for icc... icc checking whether we are using the GNU C compiler... yes checking whether icc accepts -g... yes checking for icc option to accept ISO C89... none needed setting CC... icc setting CFLAGS... -O3 using F90... ifort setting FFLAGS... -O2 -assume byterecl -g -traceback setting F90FLAGS... $(FFLAGS) -nomodule setting FFLAGS_NOOPT... -O0 -assume byterecl -g -traceback setting FFLAGS_NOMAIN... -nofor_main setting CPP... cpp setting CPPFLAGS... -P -traditional -Uvector setting LD... mpiifort setting LDFLAGS... checking whether make sets $(MAKE)... yes checking whether Fortran files must be preprocessed... no checking whether we are using the GNU Fortran 77 compiler... no checking whether ifort accepts -g... yes checking for library containing dgemm... -lmkl_intel_lp64 setting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core checking FFT... checking MASS... checking for library containing mpi_init... none required checking for library containing pdgemr2d... no checking for library containing pdgemr2d... no checking for library containing pdgemr2d... no checking for library containing pdgemr2d... no checking for library containing pdgemr2d... no checking for library containing pdgemr2d... no checking ELPA... checking for ranlib... ranlib checking for wget... wget -O setting WGET... wget -O setting DFLAGS... -D__DFTI -D__MPI setting IFLAGS... -I$(TOPDIR)/include -I$(TOPDIR)/FoX/finclude -I/usr/local/intel/mkl/include configure: creating ./config.status config.status: creating install/make_lapack.inc config.status: creating include/configure.h config.status: creating make.inc config.status: creating configure.msg config.status: creating install/make_wannier90.inc config.status: creating include/qe_cdefs.h -------------------------------------------------------------------- ESPRESSO can take advantage of several optimized numerical libraries (essl, fftw, mkl...). This configure script attempts to find them, but may fail if they have been installed in non-standard locations. If a required library is not found, the local copy will be compiled. The following libraries have been found: BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core LAPACK_LIBS= FFT_LIBS= Please check if this is what you expect. If any libraries are missing, you may specify a list of directories to search and retry, as follows: ./configure LIBDIRS="list of directories, separated by spaces" Parallel environment detected successfully.\ Configured for compilation of parallel executables. -- Group Leader "Theory of Quantum Systems at Surfaces" IBS Center for Quantum Nanoscience Seoul, South Korea
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