[CP2K:5274] "Illegal instruction"

[David Abergel]

Iain,

thanks so much for replying that quickly - much appreciated.

I think your first suggestion is unlikely to be the case because the 
machine I'm compiling on is a stand-alone server with a few multicore 
processors which are all of the same kind. I suspect your second suggestion 
is more likely the cause, so I'll try compiling all the libraries myself 
rather than relying on the pre-packaged ones and see what happens.

Thanks again!

David



On Tuesday, 13 May 2014 09:55:54 UTC+2, IBethune wrote:
>
> Hi David,
>
> Most likely cause of the Illegal Instruction error is that you are 
> compiling for a different architecture to the one you are running on - in 
> any case the error occurs when the executed code contains an instruction 
> which is not implemented on the processor you are running on.  Since you 
> are using -march=native in your arch file, is it possible that you are 
> running in a cluster environment where the machine you build on is 
> different to the one you run on?
>
> If this is not the case, the problem most likely comes from one of the 
> libraries (fftw, atlas or libint) which might have been compiled for a 
> different CPU architecture.
>
> Cheers
>
> - Iain
>
> --
>
>
> Iain Bethune
>
> Project Manager, EPCC
>
>
> Email: ibe... at epcc.ed.ac.uk <javascript:>
>
> Twitter: @IainBethune
>
> Web: http://www2.epcc.ed.ac.uk/~ibethune
>
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>
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>  
> On 13 May 2014, at 08:42, David Abergel <davi... at nordita.org<javascript:>> 
> wrote:
>
> 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:
>
>    - 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!
>
> 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
>
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