[CP2K:5276] "Illegal instruction"

[Iain Bethune]

You can also check where the crash occurs by opening the core file using the gdb debugger e.g.

gdb “path_to_exe” “path_to_core”

Then typing ‘bt’ to get a backtrace.  This might give some indication of which library and/or part of CP2K the crash originated from.

Cheers

- Iain

--

Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
Twitter: @IainBethune
Web: http://www2.epcc.ed.ac.uk/~ibethune
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On 13 May 2014, at 09:07, David Abergel <david.... at nordita.org> wrote:

> 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
> Twitter: @IainBethune
> Web: http://www2.epcc.ed.ac.uk/~ibethune
> Tel/Fax: +44 (0)131 650 5201/6555
> Mob: +44 (0)7598317015
> Addr: 2404 JCMB, The King's Buildings, Mayfield Road, Edinburgh, EH9 3JZ
> 
> On 13 May 2014, at 08:42, David Abergel <davi... at nordita.org> 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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