Cannot Increase GA Needed for Example ccsdt polar small


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Forum Vet
2:14:38 AM PDT - Fri, Oct 10th 2014
The input is
echo

start ccsdt_polar_small


    1. memory stack 2000 mb heap 200 mb global 1000 mb
  2. R = 2.068 bohr

geometry units au
symmetry d2h

N  0  0 -1.034

N  0  0  1.034
end

basis spherical
* library aug-cc-pVDZ
end

scf
 singlet

 rhf

 thresh 1e-8
end

tce
 scf

 ccsdt

 io ga
end

  2. This turns on linear response

set tce:lineresp T

  2. Calculate T(1) w.r.t. X and Z only

set tce:respaxis T F T

  2. Dynamic polarizability frequencies in atomic units

set tce:afreq 0.00000000 0.08855851 0.104551063 0.12977315 0.15187784 # INF, 514.5, 435.8, 351.1, and 300 nm, respectively

task tce energy

By the way, test tce_ccsdt_polar_small can pass and has the similar result with the default memory allocation.