Error reading
Akyl Tulegenov
pcxast at nottingham.ac.uk
Thu Oct 10 14:19:53 BST 2002
Sorry for the lack of information!
It was a sequential job: integrals are already calculated and stored on
disk. And I am running supermolecule calculation with counterpoise
correction:
The input is:
memory,80,M;
geomtyp=xyz
BASIS
... 568 functions
END
geometry={
...
}
hf;
mp2; <-- STEP 1
dummy,1,2,3; <-- STEP 2
hf;
mp2;
dummy,4,5,6;
hf;
mp2;
STEP 1 passes correctly. The same integrals are used for the following
steps. But on STEP 2 I receive that message followed by the crash.
Thanks!
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