segmentation fault

Nikita vakul... at gmail.com
Fri Jul 22 11:13:53 CEST 2011


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


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