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Topic: Gaussian 03 convergence  (Read 3765 times)

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Offline lingo

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Gaussian 03 convergence
« on: September 12, 2011, 08:53:51 AM »
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, at end of file I read these 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

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