BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES

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9:45:38 PM PDT - Sun, Mar 27th 2016

Hello

I am using Nwchem software and trying to optimize the energy for a system containg 69 atoms.

But my job terminates after giving following error:

  Non-variational initial energy

     ------------------------------

Total energy =            NaN

1-e energy   =            NaN

2-e energy   =            NaN

HOMO         =     -82.326221

LUMO         =     -82.303736

  Time after variat. SCF:    229.0

  Time prior to 1st pass:    229.2

Grid_pts file          = ./zno_h2o.gridpts.00

Record size in doubles =  12289        No. of grid_pts per rec  =   3070

Max. records in memory =     55        Max. recs in file   =  63328179

PeIGS error from dstebz 4 ...trying dsterf

=========================================================================

= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= EXIT CODE: 139
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES

=========================================================================

APPLICATION TERMINATED WITH THE EXIT STRING: Segmentation fault (signal 11)

I cannot get the problem. kindly help me to solve this

Thank you