Problems Calculating GShift

[Liam]

Hi, 

I am currently trying to use NWCHEM to calculate the g-tensor for my cluster from the gshift option, but I get this error from the start of running of it:

                              NWChem Property Module
                              ----------------------

                            ChemShell NWCHEM interface

                  ZORA g-Shift
                  ------------

             g-Shift Tensor (in ppm)
             -----------------------

 Read ZORA NMR data from ./_nwchem.zora_nmrgshift

 dft_zoraNMR_read: failed to open./_nwchem.zora_nmrgshift

 Read ZORA NMR data from ./_nwchem.zora_nmrgshift_AB

 dft_zoraNMR_read: failed to open./_nwchem.zora_nmrgshift_AB
  movecs_read_header: failed to open ./_nwchem.movecs IERR =                     2
 ------------------------------------------------------------------------
 hnd_vec_read: failed to read header                 911
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
  current input line :
  6909: task dft property
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
 An error occured while trying to read or write to disk space
 ------------------------------------------------------------------------
 For more information see the NWChem manual at https://github.com/nwchemgit/nwchem/wiki


 For further details see manual section:                                                                                                                                                                                                                      
[0] ARMCI Error: 0:hnd_vec_read: failed to read header:
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI COMMUNICATOR 3 DUP FROM 0
with errorcode 911.

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.
--------------------------------------------------------------------------

If anyone can help it would be massively appreciated. I have attached my input file for reference.

Thanks,

Liam

[Edoardo Aprà]

Please provide a less complex input file: a start (not restart one) and without the multitude of inconsistent input lines as the present one.

In other words, please keep it simple.

It's impossible to debug a restart case without knowing what the start input file was.