In my fresh install of nwchem6.3 when I run the dft module I recieve the following error when the code reaches the " Superposition of Atomic Density Guess"
0: ga_to_SL: rows/cols error:Received an Error in Communication
application called MPI_Abort(comm=0x84000000, 1) - process 0
The scf module displays a similar but slightly more helpful error:
Superposition of Atomic Density Guess
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Sum of atomic energies: -75.36108718
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ga_orthog: hard zero 1
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This error has not yet been assigned to a category
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For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
0:ga_orthog: hard zero:Received an Error in Communication
application called MPI_Abort(comm=0x84000000, 1) - process 0
Fri Jun 14 14:59:52 BST 2013
Any help with this problem would be appreciated.
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