Subject: Problems with CCSD(T) jobs

From: Ruth Tanner <rtanner(at)uoguelph.ca>
Date: Sun, 25 Apr 2004 15:50:27 -0400 (EDT)

Despite having 143 GB of disk space and 1 GB of memory, I am unable to run
the following job on my Windows machine for CF3CNO:

 %mem=1000MB
 %chk=cf3cno
 Default route:  MaxDisk=48GB
 ---------------------------------------------
 #CCSD(T,conver=5,full)/6-311+G(2d) scfcyc=500
 ---------------------------------------------

and I get the following error:

 **** Warning!!: The largest alpha MO coefficient is  0.93604856D+02

 Estimate disk for full transformation   889596368 words.
 Semi-Direct transformation.
 ModeAB=           4 MOrb=             1 LenV=     130390762
 LASXX=    128120103 LTotXX=   171968404 LenRXX=   214233243
 LTotAB=    42264839 MaxLAS=   266972895 LenRXY=           0
 NonZer=   298505045 LenScr=   449821184 LnRSAI=     2810241
 LnScr1=     5240320 LExtra=           0 Total=    672104988
 MaxDsk=           0 SrtSym=           T ITran=            5
 File extend in NtrExt1 failed; probably out of disk space.

Can anyone suggest a way I can get around this problem?  I should have
enough disk space and memory, but I can't seem to get around this disk
problem.

Ruth

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Ruth Tanner, B.Sc. M.Sc.                 rtanner(at)uoguelph.ca
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ruth_tanner(at)yahoo.com			 rtanner(at)uwo.ca
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