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<div>Dear Christoph,</div>
<div> </div>
<div>This problem relates to the path to libs.</div>
<div>I usually follow the instruction in the make.inc file:</div>
<div> </div>
<div># Top QE directory, useful for locating libraries, linking QE with plugins<br />
# The following syntax should always point to TOPDIR:<br />
#TOPDIR = $(dir $(abspath $(filter %make.inc,$(MAKEFILE_LIST))))<br />
# if it doesn't work, uncomment the following line (edit if needed):</div>
<div> TOPDIR = /home/mahmoud/QE68</div>
<div> </div>
<div>Bests</div>
<div>Mahmoud Payami</div>
<div> </div>
</div>
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<blockquote class="as91pFk8AX8sDPOUp66RUy8IoCRjefxNG8oLk8fg" style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">From: Christoph Wolf <wolf.christoph@qns.science><br />
To: Quantum Espresso users Forum <users@lists.quantum-espresso.org><br />
Date: Sat, 9 Oct 2021 15:00:54 +0900<br />
Subject: [QE-users] QE 6.8: compilation error in force_hub_gpu.f90<br />
<div dir="ltr">Dear all,
<div> </div>
<div>I tried to compile the newest version of QE using intel compilers but I am running into a problem when executing make pw:</div>
<div> </div>
<div>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<br />
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.<br />
compilation aborted for force_hub_gpu.f90 (code 1)
<div> </div>
<div>I am not compiling for GPU, so I am not entirely sure what triggers this... configure output attached at the end.</div>
<div> </div>
<div>Thanks for any help!</div>
<div>Chris</div>
<div> </div>
<div>checking build system type... x86_64-pc-linux-gnu<br />
checking ARCH... x86_64<br />
checking setting AR... ... ar<br />
checking setting ARFLAGS... ... ruv<br />
checking for gfortran... gfortran<br />
checking whether the Fortran compiler works... yes<br />
checking for Fortran compiler default output file name... a.out<br />
checking for suffix of executables...<br />
checking whether we are cross compiling... no<br />
checking for suffix of object files... o<br />
checking whether we are using the GNU Fortran compiler... yes<br />
checking whether gfortran accepts -g... yes<br />
checking for mpiifort... mpiifort<br />
checking whether we are using the GNU Fortran compiler... no<br />
checking whether mpiifort accepts -g... yes<br />
checking version of mpiifort... ifort 19<br />
checking for Fortran flag to compile .f90 files... none<br />
setting F90... ifort<br />
setting MPIF90... mpiifort<br />
checking for icc... icc<br />
checking whether we are using the GNU C compiler... yes<br />
checking whether icc accepts -g... yes<br />
checking for icc option to accept ISO C89... none needed<br />
setting CC... icc<br />
setting CFLAGS... -O3<br />
using F90... ifort<br />
setting FFLAGS... -O2 -assume byterecl -g -traceback<br />
setting F90FLAGS... $(FFLAGS) -nomodule<br />
setting FFLAGS_NOOPT... -O0 -assume byterecl -g -traceback<br />
setting FFLAGS_NOMAIN... -nofor_main<br />
setting CPP... cpp<br />
setting CPPFLAGS... -P -traditional -Uvector<br />
setting LD... mpiifort<br />
setting LDFLAGS...<br />
checking whether make sets $(MAKE)... yes<br />
checking whether Fortran files must be preprocessed... no<br />
checking whether we are using the GNU Fortran 77 compiler... no<br />
checking whether ifort accepts -g... yes<br />
checking for library containing dgemm... -lmkl_intel_lp64<br />
setting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core<br />
checking FFT...<br />
checking MASS...<br />
checking for library containing mpi_init... none required<br />
checking for library containing pdgemr2d... no<br />
checking for library containing pdgemr2d... no<br />
checking for library containing pdgemr2d... no<br />
checking for library containing pdgemr2d... no<br />
checking for library containing pdgemr2d... no<br />
checking for library containing pdgemr2d... no<br />
checking ELPA...<br />
checking for ranlib... ranlib<br />
checking for wget... wget -O<br />
setting WGET... wget -O<br />
setting DFLAGS... -D__DFTI -D__MPI<br />
setting IFLAGS... -I$(TOPDIR)/include -I$(TOPDIR)/FoX/finclude -I/usr/local/intel/mkl/include<br />
configure: creating ./config.status<br />
config.status: creating install/make_lapack.inc<br />
config.status: creating include/configure.h<br />
config.status: creating make.inc<br />
config.status: creating configure.msg<br />
config.status: creating install/make_wannier90.inc<br />
config.status: creating include/qe_cdefs.h<br />
--------------------------------------------------------------------<br />
ESPRESSO can take advantage of several optimized numerical libraries<br />
(essl, fftw, mkl...). This configure script attempts to find them,<br />
but may fail if they have been installed in non-standard locations.<br />
If a required library is not found, the local copy will be compiled.<br />
<br />
The following libraries have been found:<br />
BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core<br />
LAPACK_LIBS=<br />
FFT_LIBS=<br />
<br />
<br />
<br />
Please check if this is what you expect.<br />
<br />
If any libraries are missing, you may specify a list of directories<br />
to search and retry, as follows:<br />
./configure LIBDIRS="list of directories, separated by spaces"<br />
<br />
Parallel environment detected successfully.\<br />
Configured for compilation of parallel executables.</div>
<div> </div>
<div> </div>
--
<div class="gmail_signature" data-smartmail="gmail_signature" dir="ltr">
<div dir="ltr">Group Leader "Theory of Quantum Systems at Surfaces"<br />
IBS Center for Quantum Nanoscience<br />
Seoul, South Korea
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