Unexplained termination of NWChem job


Just Got Here
Just starting to learn NWChem and encountered a problem with NWChem job termination right after processing the information on basis set (see below). I suspect there might a problem with memory handling, but not sure about that. Here is the end of the output file:

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Summary of "ao basis" -> "" (cartesian)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
C ATZP 15 56 6s4p3d2f
H ATZP 9 25 4s3p2d
Sn AQZP 35 201 11s9p6d4f3g2h


Summary of allocated global arrays


 No active global arrays



                        GA Statistics for process    0
------------------------------

      create   destroy   get      put      acc     scatter   gather  read&inc
calls: 0 0 0 0 0 0 0 0
number of processes/call 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00
bytes total: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00
bytes remote: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00
Max memory consumed for GA by this process: 0 bytes

MA_summarize_allocated_blocks: starting scan ...
MA_summarize_allocated_blocks: scan completed: 0 heap blocks, 0 stack blocks
MA usage statistics:

       allocation statistics:
heap stack
---- -----
current number of blocks 0 0
maximum number of blocks 1 6
current total bytes 0 0
maximum total bytes 80096 196472
maximum total K-bytes 81 197
maximum total M-bytes 1 1


                                    CITATION
--------
Please cite the following reference when publishing
results obtained with NWChem:


The input file is following:


echo
title "SnMe4"

start SnMe4

memory 2 gb

charge 0

geometry
symmetry td
... atomic coordinates...
end

basis
C library ATZP file ./Basis/
H library ATZP file ./Basis/
Sn library AQZP file ./Basis/
end
dft
direct
xc becke97-2
iterations 400
end
property
       nbofile
giao
end



I would appreciate any help with figuring out the problem.

Thank you.

Sergei

Forum Vet
missing task line
Sergei
Your input file lacks the "task line"
Please add the following line

task dft property

More information at
http://nwchemgit.github.io/index.php/Release66:Top-level#TASK


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