[CP2K-user] [CP2K:21621] DFTB calculations KILLED BY SIGNAL: 9 (Killed)

[bijaya pathak]

Dear all, 
I'm running DFTB calculations on a box of 216 water molecules. I have run 
the same input file for smaller clusters of water (eg 8/ 25) but when I'm 
running the same calculation for 216, after some time, the job gets killed 
and shows the error: 
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 44 PID 38043 RUNNING AT cn073
=   KILLED BY SIGNAL: 9 (Killed)
I have tried changing a few parameters based on other discussions, but I 
could not solve this issue. I'm also attaching the input file for your 
reference. Any suggestion will be much appreciated. 

&GLOBAL
  PROJECT water-216
  RUN_TYPE MD
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    ! Charge and multiplicity
    CHARGE 0
    MULTIPLICITY 1

    &MGRID
       CUTOFF [Ry] 400
       NGRIDS 5
    &END

    &QS
       METHOD DFTB
       &DFTB
         SELF_CONSISTENT T
         DO_EWALD        T
         DISPERSION      F
         &PARAMETER
         PARAM_FILE_PATH  ./DFTB/scc/
         PARAM_FILE_NAME  scc_parameter
         SK_FILE O  H     O-H.skf
         SK_FILE H  H     H-H.skf
         SK_FILE O  O     O-O.skf
         SK_FILE H  O     H-O.skf
         &END PARAMETER
        &END DFTB
        EPS_DEFAULT 1.0E-14

    &END
    &POISSON
       PERIODIC XYZ 
    &END
Can anyone suggest what could be the possible issue with this input file ?  

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