CCL:G: CCSD(T) Calculations



 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)>