[CP2K:3378] segmentation fault

Jörg Saßmannshausen j.sassma... at ucl.ac.uk
Fri Jul 22 11:36:35 CEST 2011


Hi Nikita,

the intel compiler is notorious for doing segfaults.

Have you tried:

$ ulimit -s unlimited

That might cure the problem.

Regards

Jörg


On Friday 22 July 2011 10:13:53 Nikita wrote:
> Dear CP2K users and developers,
> 
> I have recently compiled CP2K on our university cluster. But the
> calculation failed with the following message:
> ********************************************
> --------------------------
>  OPTIMIZATION STEP:      2
>  --------------------------
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line
> Source
> cp2k.popt          0000000001195583  Unknown               Unknown
> Unknown
> cp2k.popt          000000000104A51A  Unknown               Unknown
> Unknown
> cp2k.popt          00000000004CEDA1  Unknown               Unknown
> Unknown
> cp2k.popt          000000000040E631  Unknown               Unknown
> Unknown
> cp2k.popt          00000000004096BE  Unknown               Unknown
> Unknown
> cp2k.popt          000000000040868C  Unknown               Unknown
> Unknown
> libc.so.6          00007FED46734CF4  Unknown               Unknown
> Unknown
> cp2k.popt          0000000000408599  Unknown               Unknown
> Unknown
> ************************************************
> 
> Could you suggest any solutions to my problem? By the way, here is my
> arch file:
> 
> **********************************
> INTEL_MKL = /opt/intel/mkl/10.2.4.032
> INTEL_INC = $(INTEL_MKL)/include/fftw
> INTEL_LIB = $(INTEL_MKL)/lib/em64t
> 
> CC       = mpicc
> CPP      =
> FC =  mpif90
> LD = mpif90
> AR       = /usr/bin/ar -r
> DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__SCALAPACK -D__BLACS -
> D__FFTW3 -D__LIBINT  -D__HAS_NO_ISO_C_BINDING
> CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)
> FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) \
>            -O2 -xW -funroll-loops -fpp -free -heap-arrays 64
> LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC) -i-static
> LIBS     = -L$(INTEL_LIB) -lmkl_scalapack_lp64 -
> lmkl_blacs_intelmpi_lp64 \
>            -lmkl_intel_lp64 -lmkl_sequential -lmkl_core \
>            /home/vakula/CP2K_NEW/fftw3_compiled/lib/libfftw3.a \
>            /home/vakula/CP2K_NEW/cp2k/tools/hfx_tools/libint_tools/
> libint_cpp_wrapper.o \
>            /home/vakula/CP2K_NEW/libint_compiled/lib/libderiv.a \
>            /home/vakula/CP2K_NEW/libint_compiled/lib/libint.a \
>            -lstdc++
> 
> 
> OBJECTS_ARCHITECTURE = machine_intel.o
> ******************************
> 
> Thank you in advance,
> Nikita Vakula
> PhD student, Moscow State University

-- 
*************************************************************
Jörg Saßmannshausen
University College London
Department of Chemistry
Gordon Street
London
WC1H 0AJ 

email: j.sassma... at ucl.ac.uk
web: http://sassy.formativ.net

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