some errors when run cp2k for a quickstep

[jian... at gmail.com]

Hi all,

 OS :CENTOS 6 64
compiler: intel ifort 11.1.072
MKL 10.2.6.038
FFTW fftw-3.3.3
libint : libint-1.1.4
openmpi-1.6.5

when run in terminal $ mpirun -np 4 ../../cp2k.popt -i 
he-cp2k-10gcm-3-10000K-64.inp -o he-cp2k-10gcm-3-10000K-64.out &
Then, there are some errors informations in terminal.
ASSERTION FAILED: F
 dbcsr_error_print_stack
 error%msg=
 Matrix not initialized                                                     
    
  
 error%routine=
 dbcsr_release                                                             
     
  
 error%etype=           1
 error%level=           1
 error%line=         422
 error%stack%level=           0
 dbcsr_error_stack_size=          30
 ASSERTION FAILED: F
 dbcsr_error_print_stack
 error%msg=
 Matrix not initialized                                                     
    
  
 error%routine=
 dbcsr_release                                                             
     
  
 error%etype=           1
 error%level=           1
 error%line=         422
 error%stack%level=           0
 dbcsr_error_stack_size=          30
 ASSERTION FAILED: F
 dbcsr_error_print_stack
 error%msg=
 Matrix not initialized                                                     
    
  
 error%routine=
 dbcsr_release                                                             
     
  
 error%etype=           1
 error%level=           1
 error%line=         422
 error%stack%level=           0
 dbcsr_error_stack_size=          30
 ASSERTION FAILED: F
 dbcsr_error_print_stack
 error%msg=
 Matrix not initialized                                                     
    
  
 error%routine=
 dbcsr_release                                                             
     
  
 error%etype=           1
 error%level=           1
 error%line=         422
 error%stack%level=           0
 dbcsr_error_stack_size=          30

And, in the file 64He-MD_localLog_p1.out
##################################################
 *** Local logger file of MPI task 1 in communicator 0 ***
 *** PID      = 15658
 *** Hostname = node03

 ===== Routine Calling Stack =====

            7 cp_dbcsr_deallocate_matrix
            6 deallocate_dbcsr_matrix_set
            5 qs_energies_scf
            4 qs_forces
            3 velocity_verlet
            2 qs_mol_dyn_low
            1 CP2K

 *** 11:26:19 WARNING in cp_dbcsr_deallocate_matrix :: You should not    ***
 *** "deallocate" a referenced matrix. Avoid pointers to DBCSR matrices. ***
################################################## 

This is the file Linux-x86-64-intel.popt
################################################## 
CC       = /opt/intel/Compiler/11.1/072/bin/intel64/icc
CPP      =
FC       = mpif90
LD       = mpif90
AR       = ar -r
INTEL_MKL=/opt/intel/mkl/10.2.6.038
INTEL_INC = -I$(INTEL_MKL)/include -I$(INTEL_MKL)/include/em64t/lp64 
-I/home/local/fzj/cp2k/fftw333/include
INTEL_LIB = $(INTEL_MKL)/lib/em64t
DFLAGS   = -D__HAS_NO_ISO_C_BINDING -D__INTEL -D__FFTSG -D__parallel 
-D__BLACS -D__SCALAPACK -D__FFTW3 -D__LIBINT -D__ELPA
CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)
FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -O2 -msse2 -heap-arrays 64 
-funroll-loops -fpp -free
FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -msse2 -heap-arrays 64 -fpp -free
LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC)
LIBS     = -Wl,--start-group -L${INTEL_LIB}  -lmkl_blacs_openmpi_lp64 
-lmkl_lapack95_lp64 \
-lmkl_scalapack_lp64 -lmkl_sequential -lmkl_intel_lp64 -lmkl_core 
-lmkl_intel_thread \
/home/local/fzj/cp2k/fftw333/lib/libfftw3_mpi.a -Wl,--end-group \
/home/local/fzj/cp2k/cp2k-2.4.0/tools/hfx_tools/libint_tools/libint_cpp_wrapper.o 
\
/home/local/fzj/cp2k/libint114/lib/libderiv.a \
/home/local/fzj/cp2k/libint114/lib/libint.a \
-lstdc++ -lm -lpthread  -liomp5

OBJECTS_ARCHITECTURE = machine_intel.o

graphcon.o: graphcon.F
        $(FC) -c $(FCFLAGS2) $<
################################################## 

any suggestions?
thanks for help!!! 

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