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CoulSu gaussian03

  1. Sep 8, 2011 #1
    Hi to all,
    i'm not a specialist of gaussian03, so sorry if is a basic question
    when i launch the DFT calculation sometimes, after several days that runs, if i check the file start to give me this lines.


    Initial convergence to 1.0D-05 achieved. Increase integral accuracy.
    CoulSu: requested number of processors reduced to: 2 ShMem 1 Linda.
    CalDSu: requested number of processors reduced to: 3 ShMem 1 Linda.
    CoulSu: requested number of processors reduced to: 3 ShMem 1 Linda.
    CalDSu: requested number of processors reduced to: 3 ShMem 1 Linda.
    ....... ........ ....... ... ........ ....... .. . ..... ... .......

    sometime arrive to the end of the calculation and sometimes give me error
    have you a answer o suggest to do?
    thanks in advance
     
  2. jcsd
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