You are trying to allocate 12 GB of memory per processor. Do you have that much RAM? This job does not need much memory. This worked fine for me:
echo
start tce_polar_ccsdt_small
memory 100 mb
geometry units au
symmetry d2h
Ne 0 0 0
end
basis spherical
* library aug-cc-pVDZ
end
tce
freeze core
ccsdt
io ga
end
set tce:lineresp T
set tce:respaxis F F T
set tce:afreq 0.0 0.1
task tce energy
It also worked fine with my default memory settings, no memory directive in the input file itself, but I wanted to see if I could shrink the default memory allocation since top didn't show much resident memory per process. Try using less memory.
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