TURBOMOLE Users Forum

TURBOMOLE Modules => Mpshift => Topic started by: micaela on August 20, 2009, 11:32:26 AM

Title: problem with mpshift
Post by: micaela on August 20, 2009, 11:32:26 AM

Hi,
i have some trouble with a mpshift calculation: after doing ridft successfully, i launch the mpshift program and after some iterations...
 
Inversion problem in dvdson(osinv)

 MODTRACE: no modules on stack

 fatal error in dvdson.
mpshift ended abnormally

can you explain what's happening? 0.0

regards

Title: Re: problem with mpshift
Post by: uwe on August 20, 2009, 05:56:31 PM

Hi,

never seen that message before, please send the files to the Turbomole support to make sure that it is not a bug (and if it is one: to get it fixed ...).

Regards,

Uwe