[Wien] Strange problem

Michael Gurnett michael.gurnett at kau.se
Sun Feb 26 18:26:40 CET 2006


Seems ok

On Sun, 2006-02-26 at 10:39 -0600, L. D. Marks wrote:
> It's probably not this, but do a grep -e :ITE on you case.scf and check 
> that this is increasing (also at the top of case.scf0). If it is not, 
> you've got the sleeping NFS bug.
> 
> On Sun, 26 Feb 2006, Michael Gurnett wrote:
> 
> > I installed the latest version of the code Wien2k_06, but was getting
> > strange errors regarding the def files and clmsum. This was on cases
> > that had been running succesfully on the latest 05 version. I went back
> > and reinstalled the latest 05 version, but I seem to be getting errors
> > now as well.
> >
> >>>> (min) status after run_lapw -I -i 40 -fc 1.0 \: 9 -> exit
> > lapw0              0000000000403E29  Unknown               Unknown  Unknown
> > libc.so.6          000000351E01C3CF  Unknown               Unknown  Unknown
> > lapw0              0000000000403EEA  Unknown               Unknown  Unknown
> > lapw0              00000000004281FA  Unknown               Unknown  Unknown
> > lapw0              000000000047F0E8  Unknown               Unknown  Unknown
> > lapw0              0000000000470040  Unknown               Unknown  Unknown
> > lapw0              00000000004703D7  Unknown               Unknown  Unknown
> > lapw0              0000000000496D90  Unknown               Unknown  Unknown
> > lapw0              00000000004B2D9E  Unknown               Unknown  Unknown
> > lapw0              00000000004B503B  Unknown               Unknown  Unknown
> > Image              PC                Routine            Line        Source
> > forrtl: severe (64): input conversion error, unit 8, file /home/Michael/Wien2k/HCT-Lisqrt3/HCT-Lisqrt3.clmsum
> > broyden files deleted, clm*, dmat*, vorb*, scf and struct files saved under HCT-Lisqrt3_1
> > Fallback to compatibility mode with "old" save_lapw
> >>>  (mini) arrived at end -> exit
> > ec cc and fc_conv 1 1 1
> > MIXER END
> > CORE  END
> > LAPW2 END
> > LAPW1 END
> > LAPW0 END
> >
> > What could have happened between the installations
> >
> > Michael
> >
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> 
> Note: if you have an old email address for me, please note that "nwu" has
> been changed to "northwestern".
> -----------------------------------------------
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60201, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> http://www.numis.northwestern.edu
> -----------------------------------------------
> 
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