Subject: MP2 NMR with G98

From: Qiang Cui <[email-masked]>
Date: Sat, 24 Jul 1999 22:55:07 -0400 (EDT)

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!

___________________________________________________________________________	
Qiang Cui                   
Dept. of Chem.                   _ __..-;''`--/'/ /.',-`-.
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