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Re: Morokuma calculations

Alex Granovsky


FSF: error no. 0x00020070 means that you are running out of free
disk space or quota. Note Morokuma decomposition runs can use lots
of disk space as they cannot be run in direct mode.

Kind regards,
Alex Granovsky

On Tue Oct 2 '12 1:30am, James Mao wrote
>Hi dear all,

>I am trying to run a Morokuma EDA calculations on firefly 8 (RC26) but it failed. It finished monomer SCF calculations, E3+E4 SCF calculations, E6 SCF calculations, but stopped at E1+E2 SCF calculations. The error code is:

> FSF: fatal error no. 0x00020070 in sub PWRIT2 on unit   8

>The exact same input also failed in firefly 7, at the beginning of monomer SCF calculations, with same error code.

>I have tried a different but similar molecule in a different computer, and ended up with the same error code. A simple molecule with same basis set (6-31+G**), or same molecule with simple basis set (4-31G) finished without any error. So what is wrong?

>Thanks for any help.

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