NWPW calculation for Mg 2+

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Hi,

I am having a problem with running a plane-wave calculation of Mg 2+ ion, I am trying to get the energy from the simulation. However no matter how much memory I provide, it comes with the error message:

Quote:username
MA_verify_allocator_stuff: starting scan ...
stack block 'filling', handle 146, address 0x2aabfb375080:
current right signature 0 != proper right signature 1431655765
MA_verify_allocator_stuff: scan completed
------------------------------------------------------------------------
out of stack memory 0
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at
http://www.nwchem-sw.org/index.php/NWChem_Documentation


For further details see manual section: 




0:0:out of stack memory:: -1


My input file is this:

s
Quote:username
tart MgMOF-74
title "MgMOF-74"

memory 10000 mb
geometry
Mg1 0 0 0
end
charge 2
set nwpw:mimimizer 2
nwpw
  xc pbe96
mult 1
end
task pspw energy


Thanks a lot if you can help.


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