Error in NICS computation - hnd giaox: geom tag to element failed


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Just Got Here
Hi all,

I am trying to compute NICS (nucleus-independent chemical shifts). I am encountering an error when trying to run a test included with NWChem, benzene_nics.nw:

  echo

  start benzene_nics

  title "benzene nics"
 
  geometry noautoz units angstrom nocenter
    symmetry c1
    C   0.98348719 0.98348719 0.00000000
    C  -1.34346849 0.35998130 0.00000000
    C   0.35998130 -1.34346849 0.00000000
    C  -0.98348719 -0.98348719 0.00000000
    C   1.34346849 -0.35998130 0.00000000
    C  -0.35998130 1.34346849 0.00000000
    H   1.74853940 1.74853940 0.00000000
    H  -2.38854924 0.64000984 0.00000000
    H   0.64000984 -2.38854924 0.00000000
    H  -1.74853940 -1.74853940 0.00000000
    H   2.38854924 -0.64000984 0.00000000
    H  -0.64000984 2.38854924 0.00000000
    bqH  0.00000000  0.0000000 0.00000000 
  end

  basis "ao basis" spherical
   c library 6-31g*
   h library 6-31g*
   bqH library H 6-31g*
  end

  dft
   xc hfexch
  end

  property
   shielding 1 13
  end
  task dft property


The error is get is the following:


          -----------------------------------------
          Chemical Shielding Tensors (GIAO, in ppm)
          -----------------------------------------

                                NWChem CPHF Module
                                ------------------

<edited to avoid error on forum software>

 Calc. par tensor-> nonrel
 ------------------------------------------------------------------------
 hnd_giaox: geom_tag_to_element failed                   0
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
  current input line : 
    37: task dft property
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
 There is an error related to the specified geometry
 ------------------------------------------------------------------------
                                                                                                                                                                                                                                                           
0:hnd_giaox: geom_tag_to_element failed:Received an Error in Communication
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI COMMUNICATOR 3 DUP FROM 0 
with errorcode -1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------



I saw the same error reported in a previous forum post (http://nwchemgit.github.io/Special_AWCforum/st/id594/NMR_NICS.html), which pointed to a solution by using a development version from August 2012. I used the latest development version, dated June 09, 2014.

I compiled NWChem on Linux (Ubuntu 14.04) with gfortran/gcc 4.8.2.

I will appreciate any pointers for help!

Regards,
Pablo