CCL:G: CCSD(T) Calculations

 Sent to CCL by: Yves Wang [yw34*duke.edu]
 On Thu, 2009-12-10 at 10:08 -0500, 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)>
 >
 Hey there,
 This problem has been found by many people (including me). For a lone
 period of time, there seems no good solution to that. We actually
 believe it is caused by insufficient memory. Try increase that
 (significantly). Another thing you might wanna try is, not to use
 Gaussian. GAMESS and Q-Chem have much better algorithms and require less
 system resources.
 Good luck,
 --
 Yi(Yves) Wang
 Department of Biochemistry
 Structural Biology & Biophysics Program
 Duke University
 BS: University of Science and Technology of China
 School of Life Sciences, National Laboratory for Physical Sciences at
 Microscale
 Tel: +1-919-236-3307 (Cell)
      +1-919-684-0235 (Lab 1)
      +1-919-660-1634 (Lab 2)
 Office: A20 LSRC / 5302 FFSC
 E-Mail: yves.wang]![duke.edu
 Mail: Box 90317, Chemistry Department