From owner-chemistry@ccl.net Thu Dec 10 13:49:00 2009
From: "Steve Williams willsd%a%appstate.edu" <owner-chemistry[a]server.ccl.net>
To: CCL
Subject: CCL:G: CCSD(T) Calculations
Message-Id: <-40894-091210133616-10690-oZK/3J9WR4n2ph98FALhQQ[a]server.ccl.net>
X-Original-From: Steve Williams <willsd%appstate.edu>
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Date: Thu, 10 Dec 2009 12:58:50 -0500
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Sent to CCL by: Steve Williams [willsd#,#appstate.edu]
This message nearly always means you have run out of disk space.  You 
have not included the complete input, nor described the version of 
Gaussian you are using...  If it is a 32 bit version you will run out of 
disk space quickly since this version can only use a maximum of 16 Gb of 
disk (rw file broken into 8 files, with 2Gb for each.  Your basis set is 
pretty big; you'll run out of disk quickly (with 32 bit Gaussian) for 
ccsd(t) with aug-cc-pvtz as the number of atoms increases.  The 64 bit 
version can actually use all of the disk in your system (almost 
certainly more than 16 Gb) if you let it do so.

Steve Williams


Leonardo Moreira Costa leomdcosta _ yahoo.com.br wrote:
> Sent to CCL by: "Leonardo Moreira Costa" [leomdcosta,yahoo.com.br]
> Hi everbody!
>
> I trying to use CCSD(T)/aug-cc-pvtz method in my calculations, but The folowing error always occur.
>
>
> dumping /fiocom/, unit = 2 NFiles =     8 SizExt =         0 WInBlk =       512
>                    defal = F LstWrd =      908288 FType=2 FMxFil=10000
>
>  Number           0        508        522        536        538        634        670        998
>  Base        906413      23426      23491     612107     759260      24573      20480      23441
>  End         908288      23441      24573     759260     906413     612107      23426      23491
>  End1        908288      23441      24573     759260     906413     612107      23426      23491
>  Wr Pntr     906413      23426      23491     612107     759260      24573      20480      23441
>  Rd Pntr     906413      23426      23491     612107     759260      24573      20480      23441
>  Length        1875         15       1082     147153     147153     587534       2946         50
>
>
>  dumping /fiocom/, unit = 3 NFiles =     1 SizExt =    524288 WInBlk =       512
>                    defal = T LstWrd =       67072 FType=2 FMxFil=10000
>
>  Number           0
>  Base         20480
>  End          67072
>  End1         67072
>  Wr Pntr      20480
>  Rd Pntr      20480
>  Length       46592
>  Error termination in NtrErr:
>  NtrErr Called from FileIO.
>
> I do not know what to do. I have tried some modifications in the input, but none of them helped me. My key words line is:
>
> #p CCSD(T)/aug-cc-pvtz
>
> I have tried the folowing modification, for example.
>
> #p CCSD(FC, T, MaxCyc=2000)/aug-cc-pvtz
>
> But it did not work.
> Can anyone help me?
>
> I am Leonardo Costa, phd student from UFF in Brazil(leomdcosta:yahoo.com.br)>
>
>