CCL:G: Error in energy computation procedure

 Sent to CCL by: "Pavle  Mocilac" [pavle.mocilac2 : mail.dcu.ie]
 Hi
 I am new to this list and new to Gaussian 03 software as well so probably my
 problem will be trivial to you.
 There are two things I am concerned:
 1. Energy calculations of small molecules in crystal form:
 I got CIF file from crystallographic survey and now I want to calculate total
 energy of a molecule in crystal, together with all intramolecular and
 intermolecular bonds and contacts that make the crystal cell unit stable. The
 method I was advised is to upload original CIF file with whole crystal cell unit
 and periodic interactions and to make a job file (B3LYP/6-311++G, %mem=80MW,
 k-Space Integration Method = default), and to start the calculation. The
 obtained total energy should be divided with 4 since there are 4 molecules in
 cell unit and that value would represent energy of the molecule in crystal form.
 Is this a right way to do that? Is there something to be set using Crystal
 Editor?
 2. Immediate Error!
 I managed to make such a job file, started the calculation but the G03 crushed
 shortly with an error:
 dumping /fiocom/, unit = 3 NFiles =     1 SizExt =    524288 WInBlk =       512
                    defal = T LstWrd =       66048 FType=2 FMxFil=10000
  Number           0
  Base         20480
  End          66048
  End1         66048
  Wr Pntr      20480
  Rd Pntr      20480
  Length       45568
  Error termination in NtrErr:
  NtrErr Called from FileIO.
 Whats going on there? Is there anything to be adjusted during the job
 preparations?
 Is there any one having experience with calculations of crystals?
 Thanks in advance!
 Pavle Mocilac
 PhD Student
 Dublin City Univerity