[molpro-user] restart from wavefunction file

Peter Knowles KnowlesPJ at Cardiff.ac.uk
Wed Jul 18 12:04:10 BST 2012

I guess it would help to provide enough details for someone to be able to reproduce this - for example input files for the first and restart job.
On 11 Jul 2012, at 16:50, Graham Rugg wrote:

> Dear Molpro Users,
> I have been having trouble restarting a job using orbitals from file 2. I generated file 2 from a previous calculation, and the restarted calculation appears to be reading variables from file 2 ok, but it then crashes with the error message
> WRITEM: =                     0
> ? Error
> ? Illegal file number
> ? The problem occurs in writem
> GLOBAL ERROR fehler on processor   0            
> Many thanks,
> Graham Rugg

Prof. Peter J. Knowles             
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