[molpro-user] Restoring CI wavefunction after crash

Thierry Leininger Thierry.Leininger at irsamc.ups-tlse.fr
Fri Apr 9 14:45:48 BST 2010

Dear all

I wonder if there is a way to recover the CI wavefunctions after a crash.
My file 1 obvisouly doesn't not contain (4.7 Mb) these wavefunctions but I 
believe that the temporary file sf_T0100027112.TMP.1 (1.1Gb, which 
corresponds to the size of file 1 shown in the output after the last CI  
calculation) holds these wavefunctions.
Unfortunately, just renaming this file to molecule.int and doing a restart 
results in following message 


 GLOBAL ERROR Taprea on processor   0

Is there a way to recover some of the records from this file (each CI 
calculations is about 1 week of CPU time and I had 5 of them in it).

Best regards,


Prof. Thierry Leininger
Laboratoire de Chimie et Physique Quantiques
IRSAMC - Université Paul Sabatier
118, route de Narbonne
F-31062 Toulouse Cedex
Tél. +33 5 61 55 61 52
Fax  +33 5 61 55 60 65

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