[Wien] Lapw.2 error

[Pavel Ondračka]

Not directly related to this thread, but since reports of this bug (and
some others with known fixes) keeps reappearing, how about making a
19.2 (or 19.1.1) bugfix release (just 19.1 code + fixes from Gavins
repo)? Unless next major version is already round the corner.

Just my two cents
Best regards
Pavel

On Fri, 2020-04-17 at 12:29 -0600, Gavin Abo wrote:
> Also, did compile with gfortran and not apply the bug fix to WIEN2k
> 19.1:
> 
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18771.html
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19741.html
> 
> 
> On 4/17/2020 12:20 PM, Laurence Marks wrote:
> > This may have nothing to do with it, but why is your directory
> > WIEN2k? The normal convention is, for instance, to have a directory
> > TiC in which your structure file is TiC.struct etc. I hope you are
> > not running in the installation directory, I suspect that could
> > lead to chaos!
> > 
> > On Fri, Apr 17, 2020 at 1:02 PM Johnathon Street <jstreet1 at csub.edu
> > > wrote:
> > > Prof. Blaha,
> > > 
> > > I am running Wien2k version 19.1 on Ubuntu. When running the SFC
> > > cycle I am receiving the following error in Lapw2. error file.
> > > 
> > >  'LAPW2' - can't open unit: 15                                  
> > >              
> > >  'LAPW2' -        filename: WIEN2k.tmp                          
> > >              
> > >  'LAPW2' -          status: scratch      form: unformatted 
> > > 
> > > I have searched the mailing list and found a possible solution
> > > would be to delete line 15 in the lapw2.def file which appears as
> > > below:
> > > 
> > >  2,'WIEN2k.nsh',    'unknown','unformatted',0
> > >  3,'WIEN2k.in1',   'unknown','formatted',0
> > >  4,'WIEN2k.inso',           'unknown','formatted',0
> > >  5,'WIEN2k.in2',   'old',    'formatted',0
> > >  6,'WIEN2k.output2','unknown','formatted',0
> > >  7,'WIEN2k.vorb','unknown','formatted',0
> > >  8,'WIEN2k.clmval','unknown','formatted',0
> > > 10,'./WIEN2k.vector', 'unknown','unformatted',9000
> > > 13,'WIEN2k.recprlist',      'unknown','unformatted',9000
> > > 14,'WIEN2k.kgen',        'unknown','formatted',0
> > > 16,'WIEN2k.qtl',       'unknown','formatted',0
> > > 17,'WIEN2k.weightaver','unknown','formatted',0
> > > 18,'WIEN2k.vsp',       'old',    'formatted',0
> > > 19,'WIEN2k.vns',       'unknown','formatted',0
> > > 20,'WIEN2k.struct',         'old',    'formatted',0
> > > 21,'WIEN2k.scf2','unknown','formatted',0
> > > 922,'WIEN2k.rotlm',   'unknown',    'formatted',0
> > > 23,'WIEN2k.radwf',   'unknown',    'formatted',0
> > > 26,'WIEN2k.weight',   'unknown','formatted',0
> > > 27,'WIEN2k.weightdn',   'unknown','formatted',0
> > > 29,'WIEN2k.energydn','unknown','formatted',0
> > > 30,'WIEN2k.energy', 'unknown','formatted',0
> > > 32,'WIEN2k.qdmft',   'unknown',    'formatted',0
> > > 34,'WIEN2k.oubwin',   'unknown',    'formatted',0
> > > 231,'WIEN2k.dmftsym',   'unknown',    'formatted',0
> > > 
> > > so that the lapw.def file looks like this.
> > > 
> > > line 15 prior to deletion is as follows:
> > > 
> > > 15, 'WIEN2k.tmp', 'scratch', unformatted' ,0
> > > 
> > > I continue to get the same error following deleting line 15. Do
> > > you have any suggestions 
> > > 
> > > Thank you,
> > > Johnathon Street
> > > 
> > > 
> > > _______________________________________________
> > > Wien mailing list
> > > Wien at zeus.theochem.tuwien.ac.at
> > > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!BMa1D1qNnQmptPuCfS6VM-yj1xakPH0xhKCtIv9DReLsGVEuTMTkH-QXfeTzi5FI7psSVQ$ 
> > > SEARCH the MAILING-LIST at:  
> > > https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!BMa1D1qNnQmptPuCfS6VM-yj1xakPH0xhKCtIv9DReLsGVEuTMTkH-QXfeTzi5Ea7fovWg$
> > >  
> > > 
> > 
> > 
> > -- 
> > Professor Laurence Marks
> > Department of Materials Science and Engineering
> > Northwestern University
> > www.numis.northwestern.edu
> > Corrosion in 4D: www.numis.northwestern.edu/MURI
> > Co-Editor, Acta Cryst A
> > "Research is to see what everybody else has seen, and to think what
> > nobody else has thought"
> > Albert Szent-Gyorgi
> > 
> > 
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> 
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