From NWChem
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| 8:06:14 AM PST - Wed, Feb 11th 2015 |
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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:
sQuote: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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