CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue


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Forum Vet
Please try the following input
echo
permanent_dir /global/cscratch1/sd/apra/arar
memory stack 1300 mb heap 200 mb global 7000 mb

start im

title "im"
charge 1

geometry #units angstroms print xyz noautosym noautoz
 C                  -2.23423902     0.59425408    -0.03224283
 O                  -1.12129315     1.09129114    -0.09445519
 O                  -3.30588587     0.19083810     0.02028232
 Br                  1.41553615    -0.39477191     0.02227492
 H                  -0.18608027     0.45084374    -0.04234683
end

basis spherical
 C  library aug-cc-pvqz
 H  library aug-cc-pvqz
 O  library aug-cc-pvqz
 Br  library aug-cc-pvqz-pp
end

ECP
 Br  library aug-cc-pvqz-pp
end

scf
  doublet
  THRESH 1.0e-5
  MAXITER 100
  TOL2E 1e-12
end

tce
  ccsd(t)
  FREEZE atomic
  tilesize 8
  attilesize 12
  thresh 1e-6
  maxiter 100
end

task tce