[Wien] crashing during the optimizing structure

[Kevin Jorissen]

edit optimize.job and in the section
foreach i (/

...
)

delete the lines corresponding to calculations that have finished.  Then
restart :
optimize.job &


Kevin.

----- Original Message -----
From: "Yushan Wang" <wys at UDel.Edu>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, June 19, 2003 10:09 PM
Subject: [Wien] crashing during the optimizing structure


>
> Dear Users,
>
> while I am optimizing the structure, for example, calculating the energy
> versus the volume, here the volume with five value 1, 2, 3,4,5, and  if
> the calculation crashes while SCF is runing at volume equal to 2, how can
> I do if I want the calculation to go on from where it stops.
>
> yushan
>
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