<div dir="ltr">Hi all. I am having problems getting cp2k to compile and run so I'm hoping you can help. Starting with the basics: I want to get a serial version of cp2k 2.4.0 running. (I know there is a more recent version, but I am told that to successfully compile 2.5.1 one must use gcc-4.8 and I do not have access to that version on the server I am using.) The compilation and linking finish without errors, but when I try and run the QS tests with the new executable, I get the following error "Illegal instruction (core dumped)" immediately after the ASCII art quickstep (make the atoms dance!) display. I have copied my arch file at the end of the post. Other pertinent information: <ul><li>gfortran version is 4.6.3;</li><li>the same thing happens when I compile the popt version;</li><li>I'm using the precompiled lapack/blas libraries that come with atlas;</li><li>running ldd on the executable shows that the correct lapack/blas libraries are dynamically linked.</li></ul>If there's any other important information that I've forgotten, I'll try to provide it. Thanks for your help! David Arch file: CC = cc CPP = FC = gfortran LD = gfortran AR = ar -r ATLAS_INC = /usr/include/atlas LOCAL_INC = /home/dabergel/.local/include USR_LIB = /usr/lib ATLAS_LIB = /usr/lib/atlas-base LAPACK_LIB = $(ATLAS_LIB)/atlas LOCAL_LIB = /home/dabergel/.local/lib CPPFLAGS = DFLAGS = -D__GFORTRAN -D__FFTSG -D__LIBINT -D__FFTW3 -D__LIBXC2 FCFLAGS = -O3 -march=native -ffast-math -funroll-loops -g \ -ffree-form $(DFLAGS) -I$(ATLAS_INC) -I$(LOCAL_INC) LDFLAGS = $(FCFLAGS) -L$(ATLAS_LIB) -L$(LAPACK_LIB) LIBS = -llapack -lcblas -latlas \ $(LOCAL_LIB)/libxc.a \ $(LOCAL_LIB)/libderiv.a \ $(LOCAL_LIB)/libint.a \ -lblas -lfftw3 -lfftw3_threads OBJECTS_ARCHITECTURE = machine_gfortran.o </div>