Problem in MP4 "TCE" energy calculation


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Input file

echo
title "MP4"
memory stack 600 mb heap 100 mb global 1200 mb
start MP4
charge 0
Geometry
END

basis
  • library 6-31g*
end

SCF
Doublet
ROHF
end

tce
MP4
io ga
thresh 1e-6
2eorb
2emet 14
tilesize 16
freeze atomic
end
task tce energy

Output
t1 file size = 40937
t1 file name   = ./MP4.t1
t1 file handle = -997
T2-number-of-boxes 20475

t2 file size   =        682228383
t2 file name = ./MP4.t2
t2 file handle = -995
available GA memory 1256565496 bytes
available GA memory 1256565496 bytes
available GA memory 1256565496 bytes
available GA memory 1256565496 bytes
createfile: failed ga_create size=*********
createfile: failed ga_create size=*********
createfile: failed ga_create size=*********
available GA memory 1256565496 bytes
available GA memory 1256565496 bytes
------------------------------------------------------------------------
available GA memory 1256565496 bytes


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