It's the result of a negative synergy between - hardware (GPUs) requiring black magic to work, - the choice to compile GPU-specific routines even for non-GPU cases, - a compiler that doesn't compile properly the latter. Quick and dirty fix: $ cat > PW/src/force_hub_gpu.f90 << EOF subroutine force_hub_gpu () end EOF Repeat for all *_gpu.f90 failing routines. Don't use the same code on GPUs!
Paolo On Sat, Oct 9, 2021 at 8:01 AM Christoph Wolf <wolf.christoph@qns.science> wrote: > 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 > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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