TDDFT Error with "xc new m06-2x"

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Hello,

When I try to do a TDDFT calculation with M06-2X, I am getting an error. Here's the main input and the error is below it:

"""""""""""""""""""""""""""""""""""""""""""""""""""
geometry units angstroms nocenter noautosym noautoz
   load format xyz "input.xyz"
end

basis
   * library 6-31G*
end

dft
   xc new autodiff m06-2x
end

tddft
   cis
notriplet
nroots 2
end

task tddft energy

""""""""""""""""""""""""""""""""""""""""""""""""""""

"""""""""""""""""""""""""""""""""""""""""""""""""""""
 Entering Davidson iterations
Restricted singlet excited states

 Iter   NTrls   NConv    DeltaV     DeltaE      Time
---- ------ ------ --------- --------- ---------
MA_verify_allocator_stuff: starting scan ...
stack block 'Mmat', handle 38, address 0x2067046a8:
   current right signature 0 != proper right signature 1431655765
17:Segmentation Violation error, status=: 11
MA_verify_allocator_stuff: starting scan ...
MA_verify_allocator_stuff: starting scan ...
stack block 'Mmat', handle 55, address 0x2050626a8:
   current right signature 0 != proper right signature 1431655765
MA_verify_allocator_stuff: scan completed
xc_eval_fnc: no memory                   2
------------------------------------------------------------------------
------------------------------------------------------------------------
(rank:17 hostname:eslnx133 pid:100874):ARMCI DASSERT fail. ../../ga-5.6.3/armci/src/common/signaltrap.c:SigSegvHandler():315 cond:0
 current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at http://www.nwchem-sw.org/index.php/NWChem_Documentation
""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""


Any help would be appreciated!

Thanks,
Stacey

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nwxc no longer maintained
The development and integration of nwxc has never been completed.
nwxc use has been deprecated since version 6.8

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Quote:Edoapra Dec 10th 3:05 pm
The development and integration of nwxc has never been completed.
nwxc use has been deprecated since version 6.8


Is it not possible to do TDDFT calculations with M06-2X? Also, does the documentation have anything about the depreciation of NWXC in 6.8? Thank you!

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Quote:Mdsimulationgroup Dec 11th 7:11 am

Is it not possible to do TDDFT calculations with M06-2X? Also, does the documentation have anything about the depreciation of NWXC in 6.8? Thank you!


Have a look at the release notes for 6.8

https://github.com/nwchemgit/nwchem/blob/master/release.notes.6.8

* NWXC module excluded from NWCHEM_MODULES=all


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