Author Topic: problem with mpshift  (Read 5267 times)

micaela

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problem with mpshift
« 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

uwe

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Re: problem with mpshift
« Reply #1 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