"Illegal instruction"

David Abergel david.... at nordita.org
Tue May 13 07:42:25 UTC 2014

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 

   - gfortran version is 4.6.3;
   - the same thing happens when I compile the popt version;
   - I'm using the precompiled lapack/blas libraries that come with atlas;
   - running ldd on the executable shows that the correct lapack/blas 
   libraries are dynamically linked.

If there's any other important information that I've forgotten, I'll try to 
provide it.

Thanks for your help!


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
LOCAL_LIB = /home/dabergel/.local/lib


FCFLAGS  = -O3 -march=native -ffast-math -funroll-loops -g \
        -ffree-form $(DFLAGS) -I$(ATLAS_INC) -I$(LOCAL_INC)


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
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