MP2 NMR with G98
Hi, folks.
I'm trying to perform a MP2 NMR calculation for a system without
symmetry with 198 basis function. Since I can occupy only ~3GB disk space,
I used maxdisk=350000000. And the run crushed with the following error
msg:
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Warning! MaxDisk= 350000000 but minimum for overlay 11= 551052171.
WUsed= 56990699 WInt= 884224 WEnd= 277166592
Dk804= 153055008 Dk1111= 0 Dk1112= 493177248
MaxDsk= 350000000 LAFull= 68024448 LimDsk= 350000000
NUsed= 2144424555 1783083627 1230688875 189135467 176488247 883884651
In DefCFB: NBatch= 4, ICI= 36, ICA= 41, LFMax= 8
Large arrays: LIAPS= 326956032, LIARS= 766291968 words.
Erroneous write. write 2816 instead of 786432.
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Obviously, it wants more disk space.... I just want to confirm
that the err msg simply tells me that I have to use a value in the maxdisk
keyword which is larger than 551052171??
Any other tricks/suggestions?
Thanks!
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Qiang Cui
Dept. of Chem. _ __..-;''`--/'/ /.',-`-.
Harvard Univ. (`/' ` | \ \ \\ / / / / .-'/`,_
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